Sugi Predict

Sugi Predict / Compounds / SCHEMBL9434036

SCHEMBL9434036

SCHEMBL9434036

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 16/20 0.52
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ PIN1 Q13526 1/20 0.36

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
SCHEMBL9433666 0.89 CACNA1B (0.50) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434216 0.88 HSD17B10 (0.58) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434101 0.88 CACNA1B (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434388 0.88 CACNA1B (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434308 0.87 KDM4E (0.43) CACNA1BKDM4EHSD17B10CASP1PIN1
SCHEMBL9434633 0.87 CACNA1B (0.59) CACNA1B
SCHEMBL9433819 0.87 CACNA1B (0.52) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9433379 0.85 KDM4E (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9434076 0.84 CACNA1F (0.46) CACNA1BKDM4EHSD17B10CASP1
SCHEMBL9433733 0.83 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