SCHEMBL21872441

SCHEMBL21872441

C=Cc1cc(C=N)c(NCCC(C)(C)O)cc1I

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.37
▸ VDR P11473 1/20 0.37

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
SCHEMBL24901052 0.73 AR (0.48) ARVDR
SCHEMBL21936271 0.70 — —
SCHEMBL21872491 0.58 IL1B (0.34) —
SCHEMBL21936720 0.55 — —
SCHEMBL15346310 0.55 DPYD (0.30) —
SCHEMBL24874016 0.55 TTR (0.35) —
SCHEMBL22775171 0.53 AR (0.44) ARVDR
SCHEMBL24589201 0.53 ERN1 (0.30) —
SCHEMBL22435188 0.53 — —
SCHEMBL22991500 0.51 PTGS1 (0.38) —

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
EP-3632897-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 — — EP disclosed
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