SCHEMBL9434308

SCHEMBL9434308

CC1=C(C(=O)O)C(c2ccc(I)cc2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 3/20 0.42
CACNA1B Q00975 7/20 0.39
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PIN1 Q13526 1/20 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
ADORA3 P0DMS8 2/20 0.35
CASP7 P55210 2/20 0.35

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
SCHEMBL9434752 0.90 KDM4E (0.45) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL10432703 0.89 KDM4E (0.44) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9434410 0.88 CACNA1B (0.45) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9433915 0.88 KDM4E (0.46) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9434036 0.87 CACNA1B (0.52) KDM4EHSD17B10CASP1CACNA1BPIN1
SCHEMBL9433668 0.87 HSD17B10 (0.61) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9434033 0.86 KDM4E (0.42) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9433811 0.86 KDM4E (0.47) KDM4EHSD17B10CASP1CACNA1BALDH1A1
SCHEMBL9433376 0.85 KDM4E (0.44) KDM4EHSD17B10CASP1CACNA1BKMT2A
SCHEMBL9433813 0.83 KDM4E (0.43) KDM4EHSD17B10CASP1CACNA1BKMT2A

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