SCHEMBL9434790

SCHEMBL9434790

CC1=C(C(=O)O)C(c2ccccc2Br)C(c2ccccn2)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 2/20 0.42
PIN1 Q13526 1/20 0.39
CACNA1B Q00975 7/20 0.37
KMT2A Q03164 2/20 0.36
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
CASP7 P55210 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9433540 0.88 KDM4E (0.45) KDM4EHSD17B10CASP1PIN1CACNA1B
SCHEMBL9433590 0.87 KDM4E (0.61) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9433568 0.87 KDM4E (0.44) KDM4EHSD17B10CASP1PIN1CACNA1B
SCHEMBL9433813 0.86 KDM4E (0.43) KDM4EHSD17B10CASP1PIN1CACNA1B
SCHEMBL9434846 0.86 ALDH1A1 (0.43) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9433578 0.84 MAPT (0.44) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9433749 0.84 KDM4E (0.47) KDM4EHSD17B10CASP1ALDH1A1GAA
SCHEMBL9433915 0.83 KDM4E (0.46) KDM4EHSD17B10CASP1PIN1CACNA1B
SCHEMBL9434813 0.83 KDM4E (0.41) KDM4EHSD17B10CASP1PIN1CACNA1B
SCHEMBL9434066 0.83 CYP1A2 (0.45) KDM4EHSD17B10KMT2AMEN1

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed