SCHEMBL31184945

SCHEMBL31184945

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cc(C(=O)NCCN(C)C)cc4NC3=O)CC2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.38
▸ PIP5K1C O60331 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CHKA P35790 1/20 0.34
▸ CHKB Q9Y259 1/20 0.34
▸ TP53 P04637 2/20 0.34

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
SCHEMBL31184593 0.89 ALDH1A1 (0.39) ACHEBACE1ALDH1A1POLBSMN1; SMN2
SCHEMBL31184669 0.88 MCHR1 (0.39) MCHR1PIP5K1CPIK3CAACHEBACE1
Hydrochloric Acid SCHEMBL31185022 0.88 CHKA (0.40) ACHEBACE1ALDH1A1MAPK14POLB
SCHEMBL31184787 0.88 POLB (0.40) ACHEBACE1ALDH1A1MAPK14POLB
SCHEMBL31184569 0.86 ACHE (0.42) ACHEBACE1ALDH1A1POLBSMN1; SMN2
SCHEMBL31185031 0.86 HSD17B10 (0.43) ACHEBACE1ALDH1A1POLBSMN1; SMN2
SCHEMBL31184675 0.86 ALDH1A1 (0.39) MCHR1PIP5K1CACHEBACE1ALDH1A1
SCHEMBL31184418 0.83 ALDH1A1 (0.39) ACHEBACE1ALDH1A1POLBSMN1; SMN2
SCHEMBL31184997 0.83 HSD17B10 (0.40) ACHEBACE1ALDH1A1POLBSMN1; SMN2
SCHEMBL31184594 0.83 POLB (0.42) ACHEBACE1ALDH1A1POLBSMN1; SMN2

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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