SCHEMBL1738006

SCHEMBL1738006

CCN(CC)C(=O)c1cc2c(C)c(C)n(Cc3ccccc3)c2c(N2CCc3ccccc3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.40
FABP4 P15090 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCL2 P10415 1/20 0.36
TSPO P30536 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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 SCHEMBL1738126 0.99 ADAMTS4 (0.40) ADAMTS4FABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1738173 0.90 FABP4 (0.39) ADAMTS4FABP4MEN1KMT2AALDH1A1
SCHEMBL1735831 0.89 FABP4 (0.45) FABP4MEN1KMT2AALDH1A1TSHR
SCHEMBL1737525 0.89 FABP4 (0.41) ADAMTS4FABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1736905 0.88 FABP4 (0.40) ADAMTS4FABP4MEN1KMT2AALDH1A1
SCHEMBL1737397 0.88 FABP4 (0.41) FABP4MEN1KMT2AALDH1A1TSHR
SCHEMBL1735626 0.87 FABP4 (0.41) FABP4MEN1KMT2AALDH1A1TSHR
SCHEMBL1738100 0.86 MAPT (0.40) ADAMTS4FABP4MEN1KMT2AALDH1A1
SCHEMBL1737880 0.86 FABP4 (0.40) ADAMTS4FABP4MEN1KMT2AALDH1A1
SCHEMBL1735975 0.86 FABP4 (0.40) FABP4MEN1KMT2AALDH1A1TSHR

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