SCHEMBL31184829

SCHEMBL31184829

COc1cc(NC(=O)C2CCC(N3Cc4c(cccc4C(F)F)C3=O)CC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TYK2 P29597 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CHKA P35790 1/20 0.38
▸ CHKB Q9Y259 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL31184843 0.92 POLB (0.41) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184972 0.89 POLB (0.44) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184973 0.89 POLB (0.44) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184820 0.89 MAPK1 (0.49) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184573 0.88 MALT1 (0.46) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184861 0.88 POLB (0.43) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184954 0.87 CHKA (0.43) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184345 0.87 POLB (0.42) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184449 0.86 MAPT (0.42) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL31184700 0.86 POLB (0.42) POLBSMN1; SMN2ALDH1A1MAPK1CYP1A2

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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