SCHEMBL11080644

SCHEMBL11080644

COC(=O)C(C)c1ccc2nc3ccc(Cl)cn3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALPG P10696 1/20 0.48
CYP1A2 P05177 1/20 0.45
PTAFR P25105 7/20 0.44
TBXAS1 P24557 10/20 0.44

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
SCHEMBL11090785 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11267327 0.88 ALPG (0.49) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL11429362 0.87 ALPG (0.65) ALPGPTAFRTBXAS1
SCHEMBL11080513 0.87 ALPG (0.48) ALPGPTAFRTBXAS1
SCHEMBL11081254 0.87 ALPG (0.48) ALPGPTAFRTBXAS1
SCHEMBL11269248 0.87 ALPG (0.48) ALPGPTAFRTBXAS1
SCHEMBL11086868 0.85 MT-CO2 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11297137 0.83 ALPG (0.45) ALPGPTAFRTBXAS1
SCHEMBL11076189 0.83 ALPG (0.44) ALPGPTAFRTBXAS1
SCHEMBL11272735 0.83 ALPG (0.44) ALPGPTAFRTBXAS1

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-A1 Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-05-28 EP claimed
US-4457927-A Pyrido[2,1-b]quinazolinone derivatives and the preparation and use thereof SCHERING, AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed