SCHEMBL668864

SCHEMBL668864

CN(CNc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL12235877 0.82 CYP2A6 (0.47) ALDH1A1MAPTCA12CA2CA9
SCHEMBL3565505 0.81 ALDH1A1 (0.50) ALDH1A1MAPTCA12CA2CA9
Hydrochloric Acid SCHEMBL7794806 0.79 ALDH1A1 (0.48) ALDH1A1MAPTCA12CA2CA9
SCHEMBL27644720 0.79 ALDH1A1 (0.50) ALDH1A1MAPTCA12CA2CA9
SCHEMBL12915440 0.77 ALDH1A1 (0.46) ALDH1A1MAPTCA12CA2CA9
SCHEMBL14335680 0.75 TSHR (0.52) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL22781056 0.74 SIGMAR1 (0.37) ALDH1A1MAPTCA12CA2CA9
SCHEMBL11756264 0.72 LMNA (0.48) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL16233138 0.72 MAPT (0.41) ALDH1A1MAPTCA12CA2CA9
SCHEMBL3572170 0.71 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451442-A2 Process for preparing methylene-crosslinked polyraylamine. MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP claimed
JP-3294249-A None JP disclosed
EP-2421818-B1 METHOD FOR PRODUCING COLOR-STABLE MDA AND MDI BASF SE (DE) 2014-08-27 EP disclosed
US-8614352-B2 Method for producing color-stable MDA and MDI BASF SE (DE) 2013-12-24 US disclosed
EP-2421818-A1 METHOD FOR PRODUCING COLOR-STABLE MDA AND MDI BASF SE (DE) 2012-02-29 EP disclosed
US-20120046497-A1 METHOD FOR PRODUCING COLOR-STABLE MDA AND MDI BASF SE (DE) 2012-02-23 US disclosed
WO-2010121997-A1 METHOD FOR PRODUCING COLOR-STABLE MDA AND MDI BASF SE (DE) 2010-10-28 WO disclosed
EP-0752414-B1 Process for the production of aromatic urethanes MINI RICERCA SCIENT TECNOLOG (IT) 1999-05-06 EP disclosed
CN-1034119-C Methylene-crosslinked polyarylamine and process for preparing same MITSUI TOATSU CHEMICALS (JP) 1997-02-26 CN disclosed
EP-0752414-A1 Process for the production of aromatic urethanes MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1997-01-08 EP disclosed
EP-0451442-B1 Process for preparing methylene-crosslinked polyraylamine. MITSUI TOATSU CHEMICALS (JP) 1994-09-21 EP disclosed
JP-H03294249-A PRODUCTION OF POLYARYLAMINE CROSSLINKED WITH METHYLENE MITSUI TOATSU CHEM INC 1991-12-25 JP disclosed
EP-0451442-A2 Process for preparing methylene-crosslinked polyraylamine. MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed
EP-0451442-A2 Process for preparing methylene-crosslinked polyraylamine. MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed
US-5053539-A METHYLENE-CROSSLINKED POLYARYLAMINE AND PROCESS FOR PREPARING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-01 US disclosed
US-5053539-A METHYLENE-CROSSLINKED POLYARYLAMINE AND PROCESS FOR PREPARING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-01 US disclosed
EP-0248628-A2 Polyurea-Polyurethane from the reaction of a polyol, an aromatic amine and an isocyanate terminated polyoxy-propylene prepolymer ICI AMERICAS INC. (US) 1987-12-09 EP disclosed