SCHEMBL1737573

SCHEMBL1737573

Cc1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCN(C)CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35

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 SCHEMBL1738875 0.99 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRRECQL
SCHEMBL1739114 0.92 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRRECQL
SCHEMBL1738004 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRRECQL
Hydrochloric Acid SCHEMBL1737980 0.91 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRRECQL
Hydrochloric Acid SCHEMBL1737473 0.91 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRRECQL
SCHEMBL1737227 0.91 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRRECQL
Hydrochloric Acid SCHEMBL1739769 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRRECQL
SCHEMBL1736288 0.89 MAPT (0.41) MEN1KMT2AALDH1A1TSHRRECQL
Hydrochloric Acid SCHEMBL1738797 0.88 MAPT (0.41) MEN1KMT2AALDH1A1TSHRRECQL
SCHEMBL1739082 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHRRECQL

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