SCHEMBL30153198

SCHEMBL30153198

COC(=O)c1cc(C(F)(F)F)c2oc(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)c3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 6/20 0.33
▸ CBLB Q13191 5/20 0.32
▸ S1PR1 P21453 4/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP11B1 P15538 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30

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
SCHEMBL24820485 1.00 CETP (0.33) CETPCBLBS1PR1S1PR3IDO1
SCHEMBL24821968 0.91 CYP11B2 (0.33) CETPCBLBIDO1CYP11B2KCNH2
SCHEMBL30153034 0.91 CYP11B2 (0.33) CETPCBLBIDO1CYP11B2KCNH2
SCHEMBL30153007 0.90 CBLB (0.36) CETPCBLBS1PR1IDO1CYP11B2
SCHEMBL24821927 0.90 CBLB (0.36) CETPCBLBS1PR1IDO1CYP11B2
SCHEMBL30792010 0.90 CBLB (0.36) CETPCBLBS1PR1IDO1CYP11B2
SCHEMBL24818673 0.88 HPGD (0.37) CETPCBLBS1PR1
SCHEMBL30792096 0.88 HPGD (0.37) CETPCBLBS1PR1
SCHEMBL30153040 0.88 HPGD (0.37) CETPCBLBS1PR1
SCHEMBL24818992 0.86 HDAC6 (0.42) —

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-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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