SCHEMBL1739797

SCHEMBL1739797

COc1ccc(Cn2c(C)c(C)c3ccnc(-c4ccc(OC)cc4)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CASR P41180 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39

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 SCHEMBL1735548 0.99 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1737422 0.96 LMNA (0.46) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1737126 0.95 TP53 (0.47) ALDH1A1KDM4EMAPTALOX15GAA
Hydrochloric Acid SCHEMBL1736621 0.95 LMNA (0.46) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1737684 0.95 TP53 (0.47) ALDH1A1KDM4EMAPTALOX15GAA
Hydrochloric Acid SCHEMBL1737958 0.94 TP53 (0.47) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1737286 0.94 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTALOX15GAA
Hydrochloric Acid SCHEMBL1737366 0.94 TP53 (0.47) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1738913 0.94 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1738237 0.94 CCNA2 (0.45) ALDH1A1KDM4EMAPTALOX15HTT

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