SCHEMBL24818731

SCHEMBL24818731

Cc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccccc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CBLB Q13191 1/20 0.38
▸ CETP P11597 4/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ VSIR Q9H7M9 1/20 0.33

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
SCHEMBL30152749 0.90 CBLB (0.43) CBLBSCN9AMAPTTP53HSD11B1
SCHEMBL24819869 0.90 CBLB (0.43) CBLBSCN9AMAPTTP53HSD11B1
SCHEMBL30153127 0.89 S1PR1 (0.37) CBLBCETPSCN9AESR1ESR2
SCHEMBL24819786 0.89 S1PR1 (0.37) CBLBCETPSCN9AESR1ESR2
SCHEMBL30153156 0.88 CETP (0.39) CBLBCETPSCN9AMAPTTP53
SCHEMBL30153254 0.88 CBLB (0.37) NPC1RAB9ACBLBCETPSCN9A
SCHEMBL24819872 0.88 CETP (0.39) CBLBCETPSCN9AMAPTTP53
SCHEMBL24820501 0.88 CBLB (0.37) NPC1RAB9ACBLBCETPSCN9A
SCHEMBL24818728 0.87 SCN9A (0.38) CBLBCETPSCN9AMAPTTP53
SCHEMBL30153353 0.87 SCN9A (0.38) CBLBCETPSCN9AMAPTTP53

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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