SCHEMBL6576141

SCHEMBL6576141

Nc1ccccc1Nc1ccccc1.[Fe]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.95
GAA P10253 10/20 0.95
ALDH1A1 P00352 10/20 0.95
KDM4E B2RXH2 8/20 0.95
MEN1 O00255 6/20 0.95
KMT2A Q03164 6/20 0.95
CYP1A2 P05177 2/20 0.95
CYP2C9 P11712 2/20 0.95
CYP2C19 P33261 2/20 0.95
LMNA P02545 2/20 0.95
CYP2D6 P10635 1/20 0.95
HSD17B10 Q99714 5/20 0.72
HPGD P15428 4/20 0.72
ALOX15 P16050 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
TP53 P04637 2/20 0.72
APP P05067 1/20 0.72
SNCA P37840 1/20 0.72
BLM P54132 1/20 0.72
TDP1 Q9NUW8 5/20 0.67

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
SCHEMBL29388147 0.98 MAPT (1.00) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL217480 0.98 MAPT (1.00) MAPTGAAALDH1A1KDM4EMEN1
Methane SCHEMBL4054340 0.95 MAPT (0.95) MAPTGAAALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL29809096 0.95 MAPT (0.95) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL9396738 0.93 MAPT (0.91) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL9396742 0.93 MAPT (0.91) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4607773 0.90 MAPT (0.86) MAPTGAAALDH1A1KDM4EMEN1
Sulfuric Acid SCHEMBL9190448 0.86 MAPT (0.77) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL28901135 0.86 MAPT (0.77) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL5945616 0.85 MAPT (0.76) MAPTGAAALDH1A1KDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185501-B1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEM CO INC (US) 2004-04-28 EP disclosed
EP-1185501-A1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2002-03-13 EP disclosed
WO-2000076952-A1 PREPARATION OF SUBSTITUTED AROMATIC AMINES UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-12-21 WO 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