SCHEMBL4485664

SCHEMBL4485664

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
POLB P06746 2/20 0.37
VDR P11473 1/20 0.37
BUB1 O43683 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
SCHEMBL4494579 0.92 ALDH1A1 (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4490040 0.84 GFER (0.47) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL4492336 0.83 AR (0.47) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4504902 0.82 AR (0.57) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4559832 0.82 TP53 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4490747 0.82 PGR (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4498679 0.80 CCNC (0.36) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4488093 0.80 VDR (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4504869 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4485732 0.79 KMT2A (0.47) KMT2APOLB

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed