SCHEMBL24818855

SCHEMBL24818855

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4O)ccc3o2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 6/20 0.36
▸ S1PR1 P21453 5/20 0.35
▸ S1PR3 Q99500 5/20 0.35
▸ CD274 Q9NZQ7 9/20 0.35
▸ PDCD1 Q15116 7/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ PPARG P37231 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
SCHEMBL30152852 1.00 VSIR (0.36) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL24818800 0.94 VSIR (0.38) VSIRCD274PDCD1PDCD1LG2
SCHEMBL30153011 0.94 VSIR (0.38) VSIRCD274PDCD1PDCD1LG2
SCHEMBL30152669 0.91 P2RY14 (0.39) CD274PDCD1PDCD1LG2MAPTSMN1; SMN2
SCHEMBL24820539 0.91 P2RY14 (0.39) CD274PDCD1PDCD1LG2MAPTSMN1; SMN2
SCHEMBL24819949 0.91 OPRK1 (0.31) S1PR1S1PR3CD274PDCD1LG2HCRTR1
SCHEMBL30153243 0.90 CBLB (0.34) CD274PDCD1LG2HCRTR1
SCHEMBL30152887 0.89 CD274 (0.36) VSIRCD274PDCD1PDCD1LG2
SCHEMBL24820542 0.89 CD274 (0.36) VSIRCD274PDCD1PDCD1LG2
SCHEMBL24820311 0.89 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2MAPT

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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