SCHEMBL11256752

SCHEMBL11256752

COC(=O)C(C)c1ccc2nc3cccc(C)n3c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TBXAS1 P24557 4/20 0.35
GPR139 Q6DWJ6 3/20 0.35
PTAFR P25105 1/20 0.35
ALPG P10696 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11088617 0.89 HTT (0.43) PTGS1PTGS2HTTALDH1A1KDM4E
SCHEMBL11436265 0.82 MT-CO2 (0.39) MT-CO2GPR139
SCHEMBL11266270 0.78 KDM4E (0.43) MT-CO2ALDH1A1KDM4EPOLBHPGD
SCHEMBL11267327 0.78 ALPG (0.49) MT-CO2ALDH1A1KDM4EHPGDTBXAS1
SCHEMBL11266029 0.75 MT-CO2 (0.43) MT-CO2TBXAS1PTAFRALPG
SCHEMBL11429362 0.75 ALPG (0.65) TBXAS1PTAFRALPG
SCHEMBL11080644 0.75 KDM4E (0.48) ALDH1A1KDM4ECYP1A2HPGDTBXAS1
SCHEMBL11269248 0.75 ALPG (0.48) TBXAS1PTAFRALPG
SCHEMBL11080513 0.75 ALPG (0.48) TBXAS1PTAFRALPG
SCHEMBL11081254 0.75 ALPG (0.48) TBXAS1PTAFRALPG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011142-B1 PYRIDO (2,1-B) QUINAZOLINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-12-29 EP claimed
EP-0011142-B1 PYRIDO (2,1-B) QUINAZOLINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed