SCHEMBL1739205

SCHEMBL1739205

Cc1c(C)n(Cc2cccc(F)c2)c2c(CN(C)c3ccc(F)cc3)nccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
HTR6 P50406 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FABP4 P15090 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
Hydrochloric Acid SCHEMBL1736850 0.99 MAPT (0.39) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1739716 0.93 CSF1R (0.39) MAPTKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1738284 0.92 CSF1R (0.39) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1737672 0.91 FABP4 (0.41) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL1737711 0.90 FABP4 (0.41) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1737964 0.90 CYP1A2 (0.41) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1736207 0.90 MCL1 (0.36) MAPTKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1737946 0.89 CYP1A2 (0.40) MAPTKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1739136 0.89 MCL1 (0.36) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1737589 0.88 MAPT (0.33) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed