SCHEMBL7409269

SCHEMBL7409269

COC(=O)CCn1c(=O)nc(C)c2c(OC)c(OC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.40
CASP3 P42574 3/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10741271 0.88 DYRK1A (0.40) P2RX3CASP3DYRK1AALDH1A1MAPT
SCHEMBL7414015 0.85 P2RX3 (0.37) P2RX3DYRK1AKDM4EALDH1A1HPGD
SCHEMBL10739220 0.85 DYRK1A (0.39) P2RX3CASP3DYRK1AMAPTGAA
SCHEMBL10741229 0.84 P2RX3 (0.41) P2RX3CASP3DYRK1A
SCHEMBL7412014 0.83 TNF (0.43) P2RX3CASP3DYRK1AKDM4EGAA
SCHEMBL7412224 0.80 TNF (0.47) P2RX3CASP3DYRK1AALDH1A1GAA
SCHEMBL7407811 0.80 P2RX3 (0.42) P2RX3ALDH1A1
SCHEMBL7412075 0.80 DYRK1A (0.47) P2RX3CASP3DYRK1APDE3BPDE3A
SCHEMBL7408633 0.75 DYRK1A (0.55) P2RX3CASP3DYRK1AKDM4EALDH1A1
SCHEMBL10740769 0.73 CASP3 (0.38) P2RX3CASP3DYRK1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107398-B1 ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS ORTHO PHARMA CORP (US) 1988-06-08 EP disclosed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4556739-A QUINAZOLINONE INTERMEDIATES ORTHO PHARMACEUTICAL CORPORATION (US) 1985-12-03 US disclosed
US-4555570-A Substituted 4-alkyl-2-(1H) quinazolinone-1-alkanoic acid derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1985-11-26 US disclosed
EP-0138492-A2 Process for preparing substituted 4-alkyl-2(1H) quinazolinone-1-alkanoic acid derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 EP disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed