SCHEMBL9433844

SCHEMBL9433844

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1ccsc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.59
HSD17B10 Q99714 9/20 0.59
CASP1 P29466 7/20 0.55
HPGD P15428 6/20 0.54
CASP7 P55210 4/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.49
ALDH1A1 P00352 8/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CACNA1B Q00975 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 2/20 0.42
ADORA2B P29275 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL9434000 0.88 CACNA1B (0.51) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9434343 0.84 KDM4E (0.64) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9434114 0.83 KDM4E (0.81) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL10432694 0.83 HSD17B10 (0.65) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9434538 0.83 KDM4E (0.61) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9433668 0.83 HSD17B10 (0.61) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9434728 0.83 KDM4E (0.61) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9434370 0.82 KDM4E (0.60) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL10432260 0.82 HSD17B10 (0.60) KDM4EHSD17B10CASP1HPGDCASP7
SCHEMBL9433723 0.82 KDM4E (0.63) KDM4EHSD17B10CASP1HPGDCASP7

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