SCHEMBL5749367

SCHEMBL5749367

CCc1ccc2cc3ccccc3c(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2A6 P11509 1/20 0.55
KIF11 P52732 1/20 0.42
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TYMS P04818 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTR6 P50406 1/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL5746279 0.89 CYP1A2 (0.55) CYP1A2CYP2A6KIF11HTR2AALDH1A1
SCHEMBL5748433 0.81 RORA (0.46) CYP1A2HTR2AALDH1A1MAPTHPGD
SCHEMBL5750243 0.81 RORA (0.46) CYP1A2HTR2AALDH1A1MAPTHPGD
SCHEMBL5747112 0.81 RORA (0.46) CYP1A2HTR2AALDH1A1MAPTHPGD
SCHEMBL1898791 0.79 CYP1A2 (0.67) CYP1A2CYP2A6KIF11HTR2AALDH1A1
SCHEMBL9040952 0.79 CYP1A2 (0.65) CYP1A2CYP2A6KIF11ALDH1A1LMNA
SCHEMBL27860854 0.79 CYP1A2 (0.55) CYP1A2CYP2A6KIF11HTR2AALDH1A1
SCHEMBL27480938 0.79 CYP1A2 (0.55) CYP1A2CYP2A6KIF11POLBKMT2A
SCHEMBL29368234 0.78 HTR2A (0.54) CYP1A2CYP2A6HTR2AALDH1A1LMNA
SCHEMBL1264430 0.78 HTR2A (0.54) CYP1A2CYP2A6HTR2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-0921147-B1 Transparent conducting polymers NISSAN CHEMICAL IND LTD (JP) 2005-01-12 EP disclosed
US-6153726-A A POLY 9-AMINOANTHRACENE FREE OF ANTHRAQUINONE OR A COPOLYMER WITH ANILINE; ANTISTATIC PROPERTY; A VISUAL DISPLAY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2000-11-28 US disclosed
EP-0921147-A2 Transparant conducting polymers NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-06-09 EP disclosed