SCHEMBL31184691

SCHEMBL31184691

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.45
▸ GABRA5 P31644 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ PABPC1 P11940 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MTNR1A P48039 1/20 0.39

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
SCHEMBL31184545 0.86 KDM4E (0.43) KMT2ATSHRNPC1RAB9ATP53
SCHEMBL31184673 0.86 MALT1 (0.43) KMT2ATSHRNPC1RAB9ATP53
SCHEMBL31184630 0.85 HPGD (0.44) JAK1NPC1RAB9ATYK2SMN1; SMN2
SCHEMBL31184783 0.84 MALT1 (0.54) KMT2ATSHRTP53MEN1TYK2
SCHEMBL31184751 0.84 MTNR1A (0.53) KMT2ATSHRTP53MEN1MAPT
SCHEMBL31184640 0.83 POLB (0.45) KMT2ATSHRNPC1RAB9AMAPT
SCHEMBL31184475 0.83 POLB (0.49) KMT2ATP53MEN1MAPTPOLB
SCHEMBL31184972 0.83 POLB (0.44) KMT2ATSHRNPC1RAB9AMAPT
SCHEMBL31185026 0.83 KMT2A (0.48) KMT2ATSHRNPC1RAB9AHSD17B10
SCHEMBL31184979 0.82 ALDH1A1 (0.46) KMT2ATSHRNPC1RAB9AHSD17B10

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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