SCHEMBL31184565

SCHEMBL31184565

COc1cc(NC(=O)[C@@H]2CC[C@@H](N3Cc4c(Br)cc([N+](=O)[O-])cc4C3=O)C2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GNRHR P30968 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MALT1 Q9UDY8 6/20 0.36
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL31184723 0.95 NAMPT (0.40) ALOX5NAMPTALDH1A1NPSR1RXFP1
SCHEMBL31184929 0.93 ALOX5 (0.40) ALOX5NAMPTALDH1A1NPSR1RXFP1
SCHEMBL31184515 0.88 NAMPT (0.42) ALOX5NAMPTALDH1A1NPSR1RXFP1
SCHEMBL31184464 0.82 CHKA (0.42) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184702 0.81 POLB (0.40) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184570 0.81 ALDH1A1 (0.42) NAMPTALDH1A1EPHX2POLBCYP1A2
SCHEMBL31184345 0.80 POLB (0.42) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184647 0.79 POLB (0.43) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184933 0.79 POLB (0.41) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184821 0.78 MAPT (0.42) ALDH1A1NPSR1RXFP1POLB

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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