SCHEMBL11088552

SCHEMBL11088552

Cc1ccn2c(=O)c3cc(C(C)C(=O)O)ccc3nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
PTAFR P25105 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
AKR1B1 P15121 1/20 0.40
TBXAS1 P24557 3/20 0.39
GPR139 Q6DWJ6 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CGAS Q8N884 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11266270 0.89 KDM4E (0.43) KDM4EALDH1A1GAAPKMPTAFR
SCHEMBL11083819 0.83 ALPG (0.47) KDM4EALDH1A1GAAPKMPTAFR
SCHEMBL11267882 0.82 PTGS2 (0.44) KDM4EALDH1A1HPGDPTGS2SMN1; SMN2
SCHEMBL11085352 0.80 ALPG (0.40) PTAFRAKR1B1TBXAS1ALPG
SCHEMBL11082982 0.80 AKR1C3 (0.44) KDM4EALDH1A1PTAFRTBXAS1HPGD
SCHEMBL11272438 0.80 ALPG (0.56) KDM4EALDH1A1PTAFRPOLBTBXAS1
SCHEMBL11548199 0.78 KDM4E (0.56) KDM4EALDH1A1GAAPKMTP53
SCHEMBL11090785 0.77 KDM4E (0.48) KDM4EALDH1A1PTAFRTBXAS1HPGD
SCHEMBL11084425 0.77 ALPG (0.46) PTAFRTBXAS1ALPG
SCHEMBL11076242 0.77 ALPG (0.64) PTAFRAKR1B1TBXAS1ALPG

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