Sugi Predict

Sugi Predict / Compounds / SCHEMBL9433666

SCHEMBL9433666

SCHEMBL9433666

CC1=C(C(=O)O)C(c2cccc(C)c2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 16/20 0.50
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP1 P29466 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ F12 P00748 1/20 0.40

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
SCHEMBL9434388 0.90 CACNA1B (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434101 0.90 CACNA1B (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434633 0.89 CACNA1B (0.59) CACNA1B
SCHEMBL9433819 0.89 CACNA1B (0.52) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434036 0.89 CACNA1B (0.52) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL10432260 0.88 HSD17B10 (0.60) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434752 0.87 KDM4E (0.45) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9433379 0.87 KDM4E (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434076 0.86 CACNA1F (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9433733 0.85 CACNA1B (0.55) CACNA1B

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