SCHEMBL31184630

SCHEMBL31184630

COc1cccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ TYK2 P29597 6/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ ABL1 P00519 2/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31184691 0.85 JAK2 (0.45) TYK2ABL1JAK1NPC1RAB9A
SCHEMBL31184545 0.84 KDM4E (0.43) TYK2ABL1NPC1RAB9A
SCHEMBL31184751 0.82 MTNR1A (0.53) —
SCHEMBL31184632 0.81 MAPK1 (0.46) MAPK1BTKRAB9A
SCHEMBL31184640 0.81 POLB (0.45) HPGDTYK2MAPK1NPC1RAB9A
SCHEMBL31184972 0.81 POLB (0.44) HPGDTYK2MAPK1NPC1RAB9A
SCHEMBL31184475 0.81 POLB (0.49) HPGDMAPK1
SCHEMBL31184673 0.81 MALT1 (0.43) TYK2ABL1NPC1RAB9A
SCHEMBL31184819 0.80 NPC1 (0.49) HPGDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL31185026 0.80 KMT2A (0.48) MAPK1NPC1RAB9ASMN1; SMN2

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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