SCHEMBL31184601

SCHEMBL31184601

COc1cc(NC(=O)C2CCC(N3Cc4c(C)ccc(OCCN(C)C)c4NC3=O)CC2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL31184359 0.89 POLB (0.47) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184534 0.89 POLB (0.39) POLBMCHR1CHKACHKBALDH1A1
SCHEMBL31184675 0.87 ALDH1A1 (0.39) POLBMCHR1CHKACHKBALDH1A1
SCHEMBL31184841 0.87 POLB (0.45) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31185003 0.86 POLB (0.39) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184801 0.86 HPGD (0.41) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184846 0.85 POLB (0.39) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184756 0.84 POLB (0.43) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31185060 0.84 SMN1; SMN2 (0.47) POLBCHKACHKBALDH1A1CYP1A2
SCHEMBL31184731 0.84 POLB (0.41) POLBCHKACHKBALDH1A1CYP1A2

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
Send feedback