SCHEMBL1737620

SCHEMBL1737620

Cc1c(C)n(Cc2ccccc2)c2c(N3CCc4ccccc4C3)nc(CN3CCN(C)CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37

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 SCHEMBL1737914 0.99 MC4R (0.39) MC4RALDH1A1TSHRKDM4EHSD17B10
SCHEMBL1737831 0.93 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10GAA
SCHEMBL1738714 0.93 PRMT5 (0.40) ALDH1A1TSHRKDM4EHSD17B10GAA
SCHEMBL1738905 0.93 HSD17B10 (0.42) MC4RALDH1A1TSHRKDM4EHSD17B10
Hydrochloric Acid SCHEMBL1735928 0.92 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EHSD17B10GAA
Hydrochloric Acid SCHEMBL1738465 0.92 PRMT5 (0.39) ALDH1A1TSHRKDM4EHSD17B10GAA
Hydrochloric Acid SCHEMBL1736690 0.92 HSD17B10 (0.42) MC4RALDH1A1TSHRKDM4EHSD17B10
SCHEMBL1736974 0.91 EHMT2 (0.36) ALDH1A1TSHRKDM4EHSD17B10GAA
Hydrochloric Acid SCHEMBL1737175 0.91 EHMT2 (0.36) ALDH1A1TSHRKDM4EHSD17B10GAA
SCHEMBL1737459 0.91 MEN1 (0.40) ALDH1A1TSHRKDM4EHSD17B10GAA

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