SCHEMBL1738933

SCHEMBL1738933

C#Cc1cc2c(C)c(C)n(Cc3ccccc3)c2c(N2CCc3ccccc3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPY5R Q15761 1/20 0.37
GRIN2D O15399 5/20 0.37
GRIN3B O60391 5/20 0.37
GRIN1 Q05586 5/20 0.37
GRIN2A Q12879 5/20 0.37
GRIN2B Q13224 5/20 0.37
GRIN2C Q14957 5/20 0.37
GRIN3A Q8TCU5 5/20 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 SCHEMBL1737269 0.99 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1737018 0.90 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1736680 0.86 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1737996 0.85 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1738154 0.85 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1737212 0.85 KDM4E (0.39) ALDH1A1TSHRKDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL1736146 0.84 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL1738938 0.84 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1737204 0.84 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL1736918 0.84 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHSD17B10MAPT

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