SCHEMBL31184510

SCHEMBL31184510

COc1cc(NC(=O)C2CCC(N3Cc4c(Br)ccc(Cl)c4C3=O)CC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MALT1 Q9UDY8 10/20 0.43
▸ ALDH1A1 P00352 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
▸ CHKA P35790 1/20 0.42
▸ CHKB Q9Y259 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31184693 0.93 MALT1 (0.45) SMN1; SMN2LMNAHTTMALT1ALDH1A1
SCHEMBL31184879 0.87 CHKA (0.42) SMN1; SMN2HPGDMALT1ALDH1A1CYP1A2
SCHEMBL31184345 0.84 POLB (0.42) SMN1; SMN2LMNAKMT2AHPGDMALT1
SCHEMBL31184573 0.83 MALT1 (0.46) SMN1; SMN2KMT2AMEN1MALT1ALDH1A1
SCHEMBL31184909 0.83 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTMALT1ALDH1A1
SCHEMBL31185063 0.83 MALT1 (0.43) SMN1; SMN2LMNAHPGDMALT1ALDH1A1
SCHEMBL31184647 0.81 POLB (0.43) SMN1; SMN2LMNAHPGDHTTALDH1A1
SCHEMBL31184933 0.81 POLB (0.41) SMN1; SMN2LMNAKMT2AHPGDMALT1
SCHEMBL31184464 0.81 CHKA (0.42) SMN1; SMN2LMNAKMT2AMEN1HPGD
SCHEMBL31184644 0.81 MAPT (0.43) SMN1; SMN2LMNAKMT2AMEN1HPGD

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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