SCHEMBL9433723

SCHEMBL9433723

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
HSD17B10 Q99714 7/20 0.63
HPGD P15428 7/20 0.50
CASP1 P29466 4/20 0.50
GAA P10253 3/20 0.50
CASP7 P55210 2/20 0.50
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
TSHR P16473 5/20 0.45
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.44
AGTR1 P30556 1/20 0.44

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
SCHEMBL9433907 0.88 KDM4E (0.45) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9434114 0.86 KDM4E (0.81) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9434062 0.85 KDM4E (0.58) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL10432455 0.83 KDM4E (0.64) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9433844 0.82 KDM4E (0.59) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9434343 0.81 KDM4E (0.64) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL10432694 0.79 HSD17B10 (0.65) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9434538 0.79 KDM4E (0.61) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9433668 0.79 HSD17B10 (0.61) KDM4EHSD17B10HPGDCASP1GAA
SCHEMBL9433590 0.79 KDM4E (0.61) KDM4EHSD17B10HPGDCASP1GAA

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