SCHEMBL1738711

SCHEMBL1738711

Cc1c(C)n(Cc2ccc(F)cc2)c2c(COc3ccc(Cl)cc3)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.40
DRD4 P21917 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
P2RX3 P56373 1/20 0.37
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PTGS2 P35354 1/20 0.36

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 SCHEMBL1736702 0.99 MAPT (0.40) MAPTTP53DRD4DYRK1AALDH1A1
SCHEMBL1736156 0.95 MAPT (0.42) MAPTTP53DYRK1ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736249 0.94 MAPT (0.42) MAPTTP53DYRK1ACYP1A2CYP3A4
SCHEMBL1737387 0.92 MAPT (0.41) MAPTTP53DYRK1AMCL1ADAMTS5
SCHEMBL1737416 0.92 MAPT (0.41) MAPTTP53DYRK1ACYP1A2CYP3A4
SCHEMBL1738968 0.92 MAPT (0.41) MAPTTP53DYRK1ACYP1A2CYP3A4
SCHEMBL1736377 0.92 MAPT (0.41) MAPTTP53DYRK1AMCL1ADAMTS5
Hydrochloric Acid SCHEMBL1737746 0.91 MAPT (0.40) MAPTTP53DYRK1AMCL1ADAMTS5
Hydrochloric Acid SCHEMBL1737634 0.91 MAPT (0.40) MAPTTP53DYRK1AMCL1ADAMTS5
Hydrochloric Acid SCHEMBL1736162 0.91 MAPT (0.40) MAPTTP53DYRK1ACYP1A2CYP3A4

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