SCHEMBL9433668

SCHEMBL9433668

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.61
KDM4E B2RXH2 7/20 0.61
CASP1 P29466 3/20 0.48
CASP7 P55210 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 4/20 0.47
HTT P42858 3/20 0.46
RAB9A P51151 1/20 0.46
GLA P06280 1/20 0.45
CACNA1F O60840 4/20 0.45
CACNA1D Q01668 4/20 0.45
CACNA1S Q13698 4/20 0.45
CACNA1C Q13936 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9434343 0.91 KDM4E (0.64) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434728 0.89 KDM4E (0.61) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL10432694 0.89 HSD17B10 (0.65) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434538 0.89 KDM4E (0.61) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434216 0.88 HSD17B10 (0.58) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434308 0.87 KDM4E (0.43) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434114 0.85 KDM4E (0.81) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434085 0.84 KDM4E (0.61) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL10432260 0.83 HSD17B10 (0.60) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434370 0.83 KDM4E (0.60) HSD17B10KDM4ECASP1CASP7ADORA3

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