SCHEMBL7412014

SCHEMBL7412014

COC(=O)CCn1c(=O)nc(C)c2c(N)c(OC)c(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.43
DYRK1A Q13627 1/20 0.38
P2RX3 P56373 5/20 0.37
CASP3 P42574 3/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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 0.90 DYRK1A (0.40) TNFDYRK1AP2RX3CASP3TP53
SCHEMBL10739220 0.89 DYRK1A (0.39) TNFDYRK1AP2RX3CASP3TP53
SCHEMBL7412224 0.83 TNF (0.47) TNFDYRK1AP2RX3CASP3GAA
SCHEMBL10741229 0.83 P2RX3 (0.41) DYRK1AP2RX3CASP3
SCHEMBL7409269 0.83 P2RX3 (0.40) DYRK1AP2RX3CASP3KDM4EPOLB
SCHEMBL7412075 0.79 DYRK1A (0.47) TNFDYRK1AP2RX3CASP3
SCHEMBL10747062 0.76 P2RX3 (0.37) TNFDYRK1AP2RX3KDM4EPOLB
SCHEMBL10740769 0.75 CASP3 (0.38) DYRK1AP2RX3CASP3KDM4EGAA
Bromide SCHEMBL7409238 0.73 TNF (0.44) TNFDYRK1AP2RX3GAA
SCHEMBL10976729 0.72 P2RX3 (0.42) DYRK1AP2RX3CASP3TP53KDM4E

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
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-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