SCHEMBL13706018

SCHEMBL13706018

Cc1cc(-c2sc(Cl)cc2C)sc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL13706019 0.83
SCHEMBL12215859 0.79 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL13706011 0.74 PIK3CD (0.32) PIK3CDABL1EGFRHCKSRC
SCHEMBL13706005 0.73 APP (0.34)
SCHEMBL2169920 0.72 MAPT (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL2172456 0.72 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL28057584 0.70 HPGD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL13798607 0.70 ESR2 (0.39) ESR1ESR2
SCHEMBL3109171 0.68 HSD17B1 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL1023559 0.68 ESR1 (0.41) PIK3CDABL1EGFRHCKSRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589166-B2 Thiophene-containing compound and polymer thereof FUJI XEROX CO., LTD. (JP) 2009-09-15 US disclosed