SCHEMBL23553604

SCHEMBL23553604

C[N+](C)(C)/C=C/Oc1ccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.45
▸ TRPV1 Q8NER1 9/20 0.43
▸ FLT1 P17948 3/20 0.41
▸ FLT4 P35916 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ VCP P55072 5/20 0.41
▸ IMPDH2 P12268 1/20 0.39
▸ ALOX5 P09917 1/20 0.39

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
SCHEMBL23553599 0.81 GSK3B (0.47) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL26307279 0.78 FLT1 (0.52) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL23540014 0.76 VCP (0.69) TRPV1FLT1FLT4KDRVCP
SCHEMBL23540651 0.76 VCP (0.69) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL23539561 0.76 CACNA1B (0.46) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL23540017 0.74 VCP (0.53) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL22925621 0.74 ALOX5 (0.51) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL26312233 0.73 VCP (0.47) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL22925652 0.72 TRPV1 (0.50) GSK3BTRPV1FLT1FLT4KDR
SCHEMBL23554064 0.71 VCP (0.54) TRPV1FLT1FLT4KDRVCP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 — — WO disclosed
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