SCHEMBL31185102

SCHEMBL31185102

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MALT1 Q9UDY8 3/20 0.43
▸ CHKA P35790 2/20 0.42
▸ CHKB Q9Y259 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40

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
SCHEMBL31184406 0.93 POLB (0.43) POLBSMN1; SMN2MAPK1ALDH1A1CYP1A2
SCHEMBL31185080 0.92 MALT1 (0.53) TSHRSMN1; SMN2ALDH1A1MALT1HPGD
SCHEMBL31184724 0.92 TP53 (0.43) POLBUSP2TSHRSMN1; SMN2MAPK1
SCHEMBL31185043 0.91 POLB (0.41) POLBSMN1; SMN2MAPK1ALDH1A1CYP1A2
SCHEMBL31184789 0.91 ALDH1A1 (0.44) POLBUSP2TSHRSMN1; SMN2MAPK1
SCHEMBL31184884 0.87 POLB (0.43) POLBSMN1; SMN2MAPK1ALDH1A1CYP1A2
SCHEMBL31185060 0.87 SMN1; SMN2 (0.47) POLBUSP2TSHRSMN1; SMN2MAPK1
SCHEMBL31184899 0.86 MALT1 (0.45) POLBSMN1; SMN2MAPK1ALDH1A1CYP1A2
SCHEMBL31184910 0.86 TRPV1 (0.40) POLBSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL31185021 0.86 MAPT (0.36) POLBUSP2TSHRSMN1; SMN2MAPK1

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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