SCHEMBL11245977

SCHEMBL11245977

O=C(O)c1ccc2nc3ccccc3c(=O)n2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.71
ALPG P10696 1/20 0.62
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 5/20 0.60
GAA P10253 4/20 0.60
HSD17B10 Q99714 3/20 0.60
GLA P06280 2/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
RXFP1 Q9HBX9 1/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
TBXAS1 P24557 1/20 0.53
PTAFR P25105 1/20 0.53
MAPK1 P28482 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GFER P55789 1/20 0.46

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
SCHEMBL11162554 0.81 AKR1B1 (0.62) AKR1B1ALPGKDM4EALDH1A1HPGD
SCHEMBL11007275 0.81 AKR1B1 (0.82) AKR1B1ALPGKDM4EALDH1A1HPGD
SCHEMBL11005221 0.80 AKR1B1 (0.68) AKR1B1ALPGKDM4EALDH1A1HPGD
SCHEMBL11009173 0.80 ALPG (0.71) AKR1B1ALPGKDM4EALDH1A1HPGD
SCHEMBL9459767 0.79 AKR1B1 (0.53) AKR1B1ALPGKDM4EALDH1A1HPGD
SCHEMBL11267010 0.78 CTDSP1 (0.55) AKR1B1KDM4EALDH1A1HPGDGAA
SCHEMBL28351868 0.78 KDM4E (0.61) AKR1B1KDM4EALDH1A1HPGDGAA
SCHEMBL28883171 0.78 KDM4E (0.61) AKR1B1KDM4EALDH1A1HPGDGAA
SCHEMBL28678221 0.78 KDM4E (0.61) AKR1B1KDM4EALDH1A1HPGDGAA
SCHEMBL28352180 0.78 ALDH1A1 (0.61) KDM4EALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4104389-A Antiallergic pyrido[2,1-b]quinazolin-ones WARNER-LAMBERT COMPANY (US) 1978-08-01 US claimed
US-4332802-A 11-Oxo-11H-pyrido[2,1-b]quinazoline-2-carboxylic acid and salts thereof, antiallergic compositions containing it and methods of suppressing allergic reactions with it BOEHRINGER INGELHEIM KG (DE) 1982-06-01 US disclosed
US-4104389-A Antiallergic pyrido[2,1-b]quinazolin-ones WARNER-LAMBERT COMPANY (US) 1978-08-01 US disclosed
US-4033961-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1977-07-05 US disclosed