SCHEMBL24818951

SCHEMBL24818951

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ VSIR Q9H7M9 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ CEPT1 Q9Y6K0 7/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ MAOB P27338 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
SCHEMBL30153245 1.00 ESR2 (0.34) ESR2ESR1VSIRCBLBCEPT1
SCHEMBL24819899 0.89 CBLB (0.39) VSIRCBLBHPGDP2RX7HSD11B1
SCHEMBL30152763 0.88 VSIR (0.34) VSIRCBLBHPGDCETPSCN9A
SCHEMBL24818674 0.87 VSIR (0.40) VSIRCBLBHPGDCETPP2RX7
SCHEMBL24818892 0.87 VSIR (0.36) VSIRCBLBHPGDCETPP2RX7
SCHEMBL30152764 0.87 CETP (0.37) ESR2ESR1VSIRCBLBHPGD
SCHEMBL24818753 0.87 VSIR (0.34) VSIRCBLBHPGDCETPP2RX7
SCHEMBL24819864 0.87 CETP (0.37) ESR2ESR1VSIRCBLBHPGD
SCHEMBL24819724 0.87 VSIR (0.33) VSIRCBLBHPGDCETPP2RX7
SCHEMBL24818726 0.87 HPGD (0.37) VSIRCBLBHPGDCETPSCN9A

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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