SCHEMBL11638587

SCHEMBL11638587

O=c1nc(-c2ccccc2)c2cc(F)ccc2n1CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.41
PTGER1 P34995 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGER4 P35408 3/20 0.40
GRIA2 P42262 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL11602019 0.86 MAPK8 (0.46) MAPTTP53LMNARXFP1PTGER4
SCHEMBL11635741 0.86 NR1I2 (0.49) MAPTTP53LMNAPTGER4
SCHEMBL11167513 0.86 MAPT (0.57) MAPTTP53LMNARXFP1
SCHEMBL11212672 0.85 MAPT (0.50) MAPTTP53LMNAPTGER1
SCHEMBL11164226 0.85 POLB (0.51) MAPTTP53LMNARXFP1
SCHEMBL11166830 0.83 MAPT (0.43) MAPTTP53LMNA
Ciproquazone SCHEMBL287449 0.83 CASR (0.58) MAPTTP53LMNAPTGER4
SCHEMBL11636837 0.82 MAPT (0.43) MAPTTP53LMNARXFP1
SCHEMBL11166292 0.82 PTGS2 (0.47) MAPTTP53
SCHEMBL11159348 0.82 PTGER4 (0.46) MAPTTP53LMNAPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096144-A Process for preparing quinazolinone derivatives and their 2-(N-mono-substituted amino)-phenyl ketone intermediate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-06-20 US disclosed