SCHEMBL31184646

SCHEMBL31184646

CCc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TNKS O95271 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ GRM1 Q13255 3/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL31184655 0.91 SMN1; SMN2 (0.46) SMN1; SMN2HTTALDH1A1KMT2ANPC1
SCHEMBL31184660 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31184745 0.88 GRM1 (0.44) SMN1; SMN2HTTALDH1A1KMT2ANPC1
SCHEMBL31184830 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HTTALDH1A1KMT2AMAPT
SCHEMBL31184741 0.87 MAPT (0.43) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31184818 0.87 ALDH1A1 (0.46) SMN1; SMN2HTTALDH1A1KMT2ANPC1
SCHEMBL31184740 0.86 IMPDH2 (0.47) SMN1; SMN2HTTALDH1A1KMT2ANPC1
SCHEMBL31184657 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31184979 0.85 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31184350 0.84 MAPK14 (0.42) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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