SCHEMBL24820372

SCHEMBL24820372

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(C=O)cc(Br)c3o2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 3/20 0.37
▸ ESR1 P03372 5/20 0.33
▸ ESR2 Q92731 5/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 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
SCHEMBL30153035 1.00 VSIR (0.37) VSIRESR1ESR2HPGDLMNA
SCHEMBL24819012 0.91 HPGD (0.40) VSIRHPGDLMNAGAANPC1
SCHEMBL30153031 0.91 VSIR (0.36) VSIRHPGDLMNAGAANPC1
SCHEMBL24818959 0.91 VSIR (0.36) VSIRHPGDLMNAGAANPC1
SCHEMBL24820719 0.90 VSIR (0.37) VSIRHPGDLMNAGAANPC1
SCHEMBL30152963 0.90 VSIR (0.37) VSIRHPGDLMNAGAANPC1
SCHEMBL24821892 0.88 VSIR (0.34) VSIRHPGDLMNAGAA
SCHEMBL24820375 0.88 VSIR (0.34) VSIRHPGDLMNAGAA
SCHEMBL24820065 0.88 VSIR (0.34) VSIRHPGDLMNAGAA
SCHEMBL24818930 0.88 SMN1; SMN2 (0.35) VSIRESR1ESR2HPGDNPC1

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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