SCHEMBL28932363

SCHEMBL28932363

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(=O)n(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.50
▸ ABL1 P00519 12/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ NAMPT P43490 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL23091741 0.86 TRPV1 (0.53) TRPV1ABL1ALDH1A1NAMPTMEN1
SCHEMBL23091701 0.82 TRPV1 (0.48) TRPV1ABL1ALDH1A1NAMPT
SCHEMBL23091708 0.82 TRPV1 (0.47) TRPV1ABL1ALDH1A1HTTSMN1; SMN2
SCHEMBL23091681 0.81 ABL1 (0.47) TRPV1ABL1ALDH1A1
SCHEMBL23091719 0.81 RAB9A (0.50) TRPV1ABL1ALDH1A1MEN1KMT2A
SCHEMBL23091748 0.80 ABL1 (0.58) ABL1
SCHEMBL29687481 0.80 ABL1 (0.45) TRPV1ABL1ALDH1A1NAMPT
SCHEMBL23091728 0.80 ABL1 (0.45) TRPV1ABL1ALDH1A1NAMPT
SCHEMBL23091767 0.79 MAPT (0.46) TRPV1ABL1
SCHEMBL29771360 0.79 ABL1 (0.42) TRPV1ABL1ALDH1A1

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
CN-114502544-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-05-13 — — CN disclosed
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