SCHEMBL24819911

SCHEMBL24819911

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC(C)(C)O)ccc3o2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.41
▸ PDCD1 Q15116 3/20 0.39
▸ CD274 Q9NZQ7 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ S1PR3 Q99500 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P2RY14 Q15391 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ UTRN P46939 1/20 0.34

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
SCHEMBL30152902 1.00 VSIR (0.41) VSIRPDCD1CD274SMN1; SMN2S1PR1
SCHEMBL30153157 0.89 VSIR (0.42) VSIRPDCD1CD274HPGD
SCHEMBL24818711 0.89 VSIR (0.42) VSIRPDCD1CD274NPC1MAPT
SCHEMBL24818963 0.89 VSIR (0.42) VSIRPDCD1CD274HPGD
SCHEMBL24819890 0.87 VSIR (0.41) VSIRPDCD1CD274S1PR1S1PR3
SCHEMBL30152704 0.86 CBLB (0.36) VSIRPDCD1CD274S1PR1S1PR3
SCHEMBL24821816 0.86 CBLB (0.36) VSIRPDCD1CD274S1PR1S1PR3
SCHEMBL24819847 0.86 KDM4E (0.41) VSIRPDCD1CD274SMN1; SMN2S1PR1
SCHEMBL24819865 0.86 VSIR (0.43) VSIRPDCD1CD274SMN1; SMN2KDM4E
SCHEMBL30152789 0.86 VSIR (0.43) VSIRPDCD1CD274SMN1; SMN2KDM4E

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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