SCHEMBL9433755

SCHEMBL9433755

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.60
CACNA1D Q01668 1/20 0.60
CACNA1S Q13698 1/20 0.60
CACNA1C Q13936 1/20 0.60
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 3/20 0.55
GUSB P08236 1/20 0.54
NOTCH1 P46531 1/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 1/20 0.44
FFAR3 O14843 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9434076 0.89 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL10432260 0.87 HSD17B10 (0.60) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL9434200 0.85 KDM4E (0.58) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL9434216 0.85 HSD17B10 (0.58) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL9433631 0.85 HSD17B10 (0.58) HSD17B10KDM4ECASP1CASP7ALDH1A1
SCHEMBL9434198 0.85 HSD17B10 (0.58) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL9022136 0.84 CACNA1F (0.79) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL9434383 0.82 MAPT (0.64) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9434343 0.81 KDM4E (0.64) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10
SCHEMBL9434370 0.81 KDM4E (0.60) CACNA1FCACNA1DCACNA1SCACNA1CHSD17B10

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