SCHEMBL1739422

SCHEMBL1739422

COc1cccc(Cn2c(C)c(C)c3ccnc(COc4ccccc4Cl)c32)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ABCB1 P08183 4/20 0.39
CSF1R P07333 1/20 0.39
P2RX7 Q99572 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 3/20 0.38
DRD2 P14416 3/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
HTT P42858 1/20 0.38

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 SCHEMBL1736265 0.99 MAPT (0.42) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL1737165 0.89 FABP4 (0.44) MAPTSMN1; SMN2THRBTP53POLB
Hydrochloric Acid SCHEMBL1737555 0.88 FABP4 (0.43) MAPTSMN1; SMN2THRBTP53POLB
SCHEMBL1737139 0.87 MAPT (0.45) MAPTSMN1; SMN2THRBTP53HTT
Hydrochloric Acid SCHEMBL1736158 0.86 MAPT (0.44) MAPTTHRBTP53
SCHEMBL1736758 0.85 MAOB (0.44) MAPTTHRBTP53
SCHEMBL1737357 0.85 MCL1 (0.40) MAPTSMN1; SMN2TP53HTT
SCHEMBL1738542 0.85 MCL1 (0.40) MAPTSMN1; SMN2TP53POLBHTT
SCHEMBL1737098 0.85 TP53 (0.40) MAPTTHRBTP53CSF1R
Hydrochloric Acid SCHEMBL1735348 0.85 MAOB (0.43) MAPTTHRBTP53

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