SCHEMBL11032230

SCHEMBL11032230

C=Cc1ccccc1NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 1/20 0.40
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK3 P27361 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ELANE P08246 1/20 0.30
PRTN3 P24158 1/20 0.30

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
SCHEMBL29226190 0.79 LMNA (0.48) ALDH1A1IDO1ATMCYP1A2CYP2C9
SCHEMBL6251669 0.77 IDO1 (0.52) ALDH1A1IDO1ATML3MBTL1MAPT
SCHEMBL29881429 0.77 IDO1 (0.52) ALDH1A1IDO1ATML3MBTL1MAPT
SCHEMBL24916459 0.76 IDO1 (0.38) IDO1ATMMAPTNPSR1ELANE
SCHEMBL1770005 0.76 ALDH1A1 (0.44) ALDH1A1IDO1ATML3MBTL1CYP1A2
SCHEMBL31091224 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1934706 0.74 ALDH1A1 (0.43) ALDH1A1IDO1ATML3MBTL1CYP1A2
SCHEMBL19194160 0.73 MAPT (0.38) ALDH1A1IDO1L3MBTL1TSHRMAPT
SCHEMBL21309646 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19604734 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP claimed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US claimed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP claimed
EP-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP disclosed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US disclosed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP disclosed