SCHEMBL6573774

SCHEMBL6573774

[NH]c1ccc([N]c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
MIF P14174 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
PLAU P00749 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
MAPK1 P28482 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7357232 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL7357235 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL49629 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTRAB9A
Hydrogen Sulfide SCHEMBL3492611 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4392403 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL9793669 0.72 MAPT (0.71) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL1118624 0.72 TSHR (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL503321 0.72 ACHE (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL11157503 0.72 MEN1 (0.71) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4396878 0.72 NFE2L2 (0.44) ALDH1A1MEN1KMT2AMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126385-A Chloropyrimidines and chlorotriazines as rubber-to-metal adhesion promoters UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-06-30 US claimed
EP-1185501-B1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEM CO INC (US) 2004-04-28 EP disclosed
EP-1316531-A1 Method of making trisodium pentacyanoamminoferrate II and use thereof in a method for preparing substituted aromatic amines UNIROYAL CHEMICAL COMPANY, Inc. (US) 2003-06-04 EP disclosed
EP-1185501-A1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2002-03-13 EP disclosed
US-6229035-B1 MAKING AN ALKALI PENTACYANOAMMINOFERRATE BY ADDING AN ACID STABILIZED, NONOXIDIZING FERROUS SALT AND ALKALI CYANIDE TO AQUEOUS AMMONIUM HYDROXIDE; OXIDATIVE DEHYDROGENATION CATALYST; CATALYST SELECTIVITY; RECYCLABILITY UNIROYAL CHEMICAL COMPANY, INC. 2001-05-08 US disclosed
WO-2000076952-A1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-12-21 WO disclosed
EP-1021393-A1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2000-07-26 EP disclosed
US-6069279-A AROMATIC AMINE SUCH AS ANILINE IS OXIDIZED WITH OXYGEN OR HYDROGEN PEROXIDE IN THE PRESENCE OF A METAL PENTACYANO FERRATE(II) COMPLEX, WITH SUBSEQUENT CATALYTIC REDUCTION OF THE COMPLEX BY HYDROGENATION IN THE PRESENCE OF METAL CATALYST ADDIVANT USA, LLC 2000-05-30 US disclosed
US-5925790-A OXIDIZING AROMATIC AMINE IN PRESENCE OF SODIUM/POTASSIUM PENTACYANOFERRATE COMPLEX; CATALYTIC REDUCTION OF ARYLENEDIAMINOPENTACYANOFERRATE COMPLEX WITH HYDROGEN UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-07-20 US disclosed
EP-0365127-B1 Substituted triazines UNIROYAL CHEM CO INC (US) 1999-01-27 EP disclosed
US-5858321-A PRODUCTION OF PHENYL-P-PHENYLENEDIAMINE WHEREIN ANILINE IS OXIDIZED IN THE PRESENCE OF TRISODIUM PENTACYANO FERRATE(II)COMPLEXES CONTAINING VARIOUS WATER SOLUBLE LIGANDS, SUCH AS AMMONIA, MONO ALKYL AMINE, DIALKYL AMINES, UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-01-12 US disclosed
US-5728882-A OXIDIZING A SOLUTION OF AN AROMATIC AMINE IN THE PRESENCE OF AN OXIDIZER AND A METAL PENTACYANOFERRATE COMPLEX AND CATALYTICALLY REDUCING RESULTING ARYLENEDIAMINOPENTACYANOFERRATE COMPLEX WITH HYDROGEN UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-03-17 US disclosed
WO-1997037965-A1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-10-16 WO disclosed
US-4855346-A Rubber stabilizers derived from N-phenyl-p-phenylenediamine AKZONA INCORPORATED (US) 1989-08-08 US disclosed
EP-0070597-B1 NOVEL N-PHENYL P-PHENYLENE DIAMINO DERIVATIVES AND THEIR USE AS STABILIZER IN RUBBER OR RUBBER LATEX AKZO N.V. (NL) 1986-01-22 EP disclosed
EP-0070597-A1 Novel N-phenyl p-phenylene diamino derivatives and their use as stabilizer in rubber or rubber latex AKZO N.V. (NL) 1983-01-26 EP disclosed