SCHEMBL31184622

SCHEMBL31184622

COc1cc(NC(=O)C2CCC(N3Cc4c(cccc4C(F)(F)F)NC3=O)CC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDR P35968 3/20 0.38
▸ BRAF P15056 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ EPHX2 P34913 2/20 0.38

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
SCHEMBL31184884 0.90 POLB (0.43) MALT1SMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL31184406 0.90 POLB (0.43) MALT1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL31184551 0.89 TP53 (0.41) MALT1SMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL31184899 0.89 MALT1 (0.45) MALT1SMN1; SMN2MAPK1LMNAMEN1
SCHEMBL31184597 0.87 POLB (0.41) MALT1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL31184995 0.87 MALT1 (0.41) MALT1SMN1; SMN2MAPK1MAPTKMT2A
SCHEMBL31184711 0.87 MALT1 (0.44) MALT1SMN1; SMN2MAPK1LMNAMEN1
SCHEMBL31184531 0.86 POLB (0.40) MALT1SMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL31184397 0.85 POLB (0.45) MALT1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL31184791 0.84 ACHE (0.44) MALT1SMN1; SMN2MAPK1LMNAMAPT

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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