SCHEMBL31184660

SCHEMBL31184660

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31184741 0.92 MAPT (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184646 0.91 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184979 0.90 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184657 0.88 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184350 0.88 MAPK14 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184851 0.87 POLB (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184994 0.87 GRM1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31185049 0.86 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184399 0.85 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184763 0.85 EPHX2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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
Send feedback