SCHEMBL31184638

SCHEMBL31184638

COc1cc(NC(=O)C2(C)CCC(N3Cc4c(C)cccc4NC3=O)CC2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.37
▸ MAPT P10636 4/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TOP1 P11387 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL31184643 1.00 PARP1 (0.37) PARP1MAPTHSD11B1GRM4CNR1
SCHEMBL31185021 0.93 MAPT (0.36) PARP1MAPTCNR1CNR2POLB
SCHEMBL31184579 0.91 ALDH1A1 (0.42) MAPTPOLBLMNASMN1; SMN2MEN1
SCHEMBL31184982 0.89 ALDH1A1 (0.42) PARP1MAPTPOLBCRHBPCRHR2
SCHEMBL31184672 0.88 MAPT (0.36) PARP1MAPTGRM4CNR1CNR2
SCHEMBL31184778 0.87 MAPT (0.40) PARP1MAPTHSD11B1GRM4CNR1
SCHEMBL31184406 0.86 POLB (0.43) MAPTPOLBLMNASMN1; SMN2
SCHEMBL31184478 0.82 MAPT (0.38) MAPTCNR1CNR2POLBCRHBP
SCHEMBL31184884 0.80 POLB (0.43) POLBSMN1; SMN2KMT2A
SCHEMBL31184736 0.80 CDK5 (0.36) —

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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