SCHEMBL9541519

SCHEMBL9541519

O=c1[nH]cnc2ccc(Oc3ccccc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 8/20 0.68
PARP1 P09874 8/20 0.58
IP6K3 Q96PC2 3/20 0.57
IP6K2 Q9UHH9 3/20 0.57
PDPK1 O15530 1/20 0.56
CA12 O43570 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA9 Q16790 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
CHEK1 O14757 1/20 0.54
PIM1 P11309 1/20 0.54
AKT1 P31749 1/20 0.54
FLT3 P36888 1/20 0.54
PIM3 Q86V86 1/20 0.54
ACVR1 Q04771 2/20 0.50
SLC2A1 P11166 1/20 0.49

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
SCHEMBL3739920 0.91 IP6K1 (0.61) IP6K1PARP1IP6K3IP6K2PDPK1
SCHEMBL4252782 0.87 PARP1 (0.69) IP6K1PARP1IP6K3IP6K2PDPK1
SCHEMBL4252776 0.82 PARP1 (0.72) IP6K1PARP1IP6K3IP6K2CHEK1
SCHEMBL24155902 0.80 ACVR1 (0.61) IP6K1PARP1IP6K3IP6K2PDPK1
SCHEMBL19373198 0.80 IP6K1 (0.61) IP6K1PARP1IP6K3IP6K2PDPK1
SCHEMBL1257333 0.80 PARP1 (0.63) IP6K1PARP1IP6K3IP6K2PDPK1
SCHEMBL1799380 0.78 MMP12 (0.62) SMN1; SMN2CHEK1
SCHEMBL29770425 0.78 MMP12 (0.62) SMN1; SMN2CHEK1
SCHEMBL7980737 0.78 ACVR1 (0.67) IP6K1PARP1IP6K3IP6K2PDPK1
SCHEMBL17950454 0.76 MAOA (0.43) IP6K1SMN1; SMN2PIM1

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
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed