SCHEMBL31184979

SCHEMBL31184979

Cc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL31185049 0.92 ALDH1A1 (0.44) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL31184657 0.92 ALDH1A1 (0.44) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL31184994 0.91 GRM1 (0.44) ALDH1A1GAAKMT2AMEN1NPC1
SCHEMBL31184399 0.91 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31184655 0.90 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31184660 0.90 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31184972 0.89 POLB (0.44) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31184640 0.89 POLB (0.45) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31184350 0.89 MAPK14 (0.42) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31184763 0.89 EPHX2 (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A

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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