SCHEMBL29687554

SCHEMBL29687554

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(=O)n(-c2ccc[n+]([O-])c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.43
▸ TRPV1 Q8NER1 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL23091701 0.88 TRPV1 (0.48) ABL1TRPV1ALDH1A1NAMPTFLT1
SCHEMBL29687226 0.83 ABL1 (0.51) ABL1FLT1KDRPOLB
SCHEMBL29687788 0.83 ABL1 (0.48) ABL1TRPV1ALDH1A1
SCHEMBL23091643 0.83 ABL1 (0.51) ABL1FLT1KDRPOLB
SCHEMBL23091652 0.83 ABL1 (0.48) ABL1TRPV1ALDH1A1
SCHEMBL23091708 0.83 TRPV1 (0.47) ABL1TRPV1ALDH1A1
SCHEMBL23091691 0.82 RAB9A (0.53) ABL1ALDH1A1
SCHEMBL29687405 0.82 RAB9A (0.53) ABL1ALDH1A1
SCHEMBL23091681 0.82 ABL1 (0.47) ABL1TRPV1ALDH1A1
SCHEMBL23091719 0.82 RAB9A (0.50) ABL1TRPV1ALDH1A1POLB

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
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP claimed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP disclosed
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