SCHEMBL31184595

SCHEMBL31184595

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.46
▸ BRAF P15056 4/20 0.46
▸ MALT1 Q9UDY8 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPY2R P49146 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
SCHEMBL31184920 0.93 MALT1 (0.42) KDRBRAFMALT1SMN1; SMN2TSHR
SCHEMBL31184640 0.89 POLB (0.45) MALT1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL31184475 0.89 POLB (0.49) MALT1KMT2ALMNAMAPK1MEN1
SCHEMBL31184468 0.89 TP53 (0.44) MALT1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL31184711 0.88 MALT1 (0.44) KDRBRAFMALT1SMN1; SMN2TSHR
SCHEMBL31184972 0.88 POLB (0.44) MALT1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL31184902 0.87 MALT1 (0.54) MALT1SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL31184818 0.86 ALDH1A1 (0.46) MALT1SMN1; SMN2TSHRKMT2AMAPK1
SCHEMBL31184761 0.86 MAPT (0.43) MALT1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL31184419 0.85 POLB (0.42) MALT1SMN1; SMN2TSHRKMT2ALMNA

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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