SCHEMBL24818728

SCHEMBL24818728

Cn1cnnc1-c1ccccc1-c1cccc(-c2nc3cc(C(=O)O)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ S1PR1 P21453 13/20 0.37
▸ S1PR3 Q99500 10/20 0.37
▸ CBLB Q13191 3/20 0.37
▸ CETP P11597 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL30153353 1.00 SCN9A (0.38) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL24818726 0.92 HPGD (0.37) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL30152816 0.92 HPGD (0.37) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL30153136 0.91 CETP (0.38) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL24819809 0.91 CETP (0.38) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL29190036 0.90 CBLB (0.36) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL24818731 0.87 NPC1 (0.40) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL24819786 0.86 S1PR1 (0.37) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL30153127 0.86 S1PR1 (0.37) SCN9AS1PR1S1PR3CBLBCETP
SCHEMBL24819869 0.85 CBLB (0.43) SCN9ACBLBTP53MAPT

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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