SCHEMBL31184472

SCHEMBL31184472

COc1cc(NC(=O)C2CCC(N3Cc4c(ccc(Br)c4C)NC3=O)CC2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL31184397 0.92 POLB (0.45) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184653 0.90 POLB (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184597 0.90 POLB (0.41) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184940 0.90 CHKA (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184656 0.88 POLB (0.40) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184644 0.88 MAPT (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184652 0.87 POLB (0.39) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184365 0.87 POLB (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184884 0.87 POLB (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184406 0.87 POLB (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4

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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