SCHEMBL1737129

SCHEMBL1737129

C=CCn1c(C)c(C)c2ccnc(CN(C)c3ccc(F)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 SCHEMBL1736502 0.99 MAPT (0.33) MAPTTDP1CYP1A2CYP3A4CYP2D6
SCHEMBL1737297 0.87 ICMT (0.34)
SCHEMBL1739311 0.86 MAPT (0.32) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1735570 0.86 ICMT (0.33)
Hydrochloric Acid SCHEMBL1736865 0.85 MAPT (0.32) MAPT
SCHEMBL1735566 0.84 ALDH1A1 (0.33) CYP3A4
SCHEMBL1736207 0.84 MCL1 (0.36) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1739136 0.83 MCL1 (0.36) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1739430 0.83 ALDH1A1 (0.32) CYP3A4
SCHEMBL5806060 0.82 MAPT (0.31) MAPTTDP1

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