SCHEMBL1739772

SCHEMBL1739772

Cc1c(C)n(Cc2ccccc2)c2c(N3CCc4ccc(F)cc4C3C)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
HK1 P19367 1/20 0.33
HTT P42858 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
CACNA1G O43497 3/20 0.33
CACNA1H O95180 3/20 0.33
CACNA1I Q9P0X4 3/20 0.33
HTR6 P50406 1/20 0.32

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 SCHEMBL1738233 0.99 FABP4 (0.37) FABP4MEN1KMT2APARP1SIGMAR1
SCHEMBL1736826 0.95 CYP2D6 (0.37) FABP4MEN1KMT2APARP1CYP1A2
SCHEMBL1736043 0.94 HTR6 (0.35) FABP4MEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1737021 0.94 CYP2D6 (0.37) FABP4MEN1KMT2APARP1CYP1A2
Hydrochloric Acid SCHEMBL1736873 0.93 HTR6 (0.34) FABP4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1737157 0.93 CYP1A2 (0.35) FABP4MEN1KMT2APARP1CYP1A2
Hydrochloric Acid SCHEMBL1737962 0.92 CYP1A2 (0.34) MEN1KMT2APARP1CYP1A2CYP3A4
SCHEMBL1737976 0.90 FABP4 (0.39) FABP4MEN1KMT2ASIGMAR1MAPT
Hydrochloric Acid SCHEMBL1738247 0.89 FABP4 (0.38) FABP4MEN1KMT2ASIGMAR1MAPT
SCHEMBL1737665 0.89 HTR6 (0.35) FABP4MEN1KMT2ACDK9MAPT

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