SCHEMBL4492336

SCHEMBL4492336

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FEN1 P39748 1/20 0.39
POLB P06746 2/20 0.38
CXCR2 P25025 1/20 0.38
CHRM4 P08173 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.36

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 0.89 ALDH1A1 (0.43) ARPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL4484664 0.89 CFTR (0.45) ARFEN1ALDH1A1GRIA2GRIA4
SCHEMBL4490040 0.83 GFER (0.47) GAAFEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4485664 0.83 KDM4E (0.40) POLBTSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4493743 0.83 GRIA2 (0.39) POLBTSHRSMN1; SMN2ALDH1A1GRIA2
SCHEMBL4504902 0.82 AR (0.57) ARPOLBALDH1A1KDM4EMEN1
SCHEMBL4490747 0.79 PGR (0.43) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4559832 0.79 TP53 (0.46) GAAFEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4488093 0.77 VDR (0.40) POLBTSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL4504869 0.77 ALDH1A1 (0.42) POLBTSHRSMN1; SMN2ALDH1A1MEN1

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