SCHEMBL31184968

SCHEMBL31184968

CCCCOC(=O)NCc1ccc2c(c1C)CN(C1CCC(C(=O)Nc3ccc(C)c(OC)c3)CC1)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TP53 P04637 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTT P42858 4/20 0.34
▸ CHKA P35790 1/20 0.33
▸ CHKB Q9Y259 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 2/20 0.33

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
SCHEMBL31184853 0.84 POLB (0.41) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184749 0.84 POLB (0.40) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184983 0.83 SMN1; SMN2 (0.40) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31185073 0.83 MAPT (0.39) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184397 0.83 POLB (0.45) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184653 0.81 POLB (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184940 0.81 CHKA (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184472 0.81 POLB (0.41) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184727 0.80 POLB (0.46) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL31184884 0.80 POLB (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C19

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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