SCHEMBL1738004

SCHEMBL1738004

Cc1c(C)n(Cc2ccccc2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCN(C)CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RECQL P46063 1/20 0.40
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 4/20 0.38
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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 SCHEMBL1737473 0.99 MEN1 (0.41) MEN1KMT2ARECQLFABP4ALDH1A1
SCHEMBL1739114 0.95 MEN1 (0.40) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1737980 0.94 MEN1 (0.39) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
SCHEMBL1739082 0.94 ALDH1A1 (0.43) MEN1KMT2ARECQLFABP4ALDH1A1
SCHEMBL1738236 0.93 MEN1 (0.41) MEN1KMT2ARECQLALDH1A1HTT
SCHEMBL1737227 0.93 MEN1 (0.45) MEN1KMT2ARECQLALDH1A1TSHR
SCHEMBL1739005 0.93 ALDH1A1 (0.43) MEN1KMT2ARECQLFABP4ALDH1A1
Hydrochloric Acid SCHEMBL1736933 0.93 ALDH1A1 (0.42) MEN1KMT2ARECQLFABP4ALDH1A1
Hydrochloric Acid SCHEMBL1735882 0.93 MEN1 (0.40) MEN1KMT2ARECQLALDH1A1HTT
Hydrochloric Acid SCHEMBL1739769 0.93 MEN1 (0.45) MEN1KMT2ARECQLALDH1A1TSHR

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