SCHEMBL24818776

SCHEMBL24818776

Cn1cnnc1-c1cc(F)ccc1-c1cc(-c2nc3cc(CO)ccc3o2)nc(C2CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.33
▸ S1PR3 Q99500 6/20 0.33
▸ CBLB Q13191 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ F2RL3 Q96RI0 2/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ HPSE Q9Y251 1/20 0.31

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
SCHEMBL24820738 0.91 NPC1 (0.35) S1PR1S1PR3CBLBPDCD1CD274
SCHEMBL30152736 0.90 CBLB (0.37) S1PR1CBLBPDCD1CD274HPSE
SCHEMBL24820525 0.90 CBLB (0.37) S1PR1CBLBPDCD1CD274HPSE
SCHEMBL24820602 0.88 CBLB (0.42) CBLBPDCD1CD274CETPHPSE
SCHEMBL30153100 0.88 CBLB (0.42) CBLBPDCD1CD274CETPHPSE
SCHEMBL30152929 0.88 CBLB (0.33) CBLBMAP3K5
SCHEMBL30153055 0.88 CBLB (0.33) CBLBPDCD1CD274MAP3K5
SCHEMBL24820581 0.88 CBLB (0.33) CBLBMAP3K5
SCHEMBL24818816 0.88 CBLB (0.33) CBLBPDCD1CD274MAP3K5
SCHEMBL24819948 0.88 S1PR1 (0.35) S1PR1S1PR3PDCD1CD274CETP

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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