SCHEMBL9953693

SCHEMBL9953693

O=c1c2cc(I)ccc2nc(Cl)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.44
CCKBR P32239 1/20 0.44
MAT2A P31153 1/20 0.43
TP53 P04637 1/20 0.42
KLK7 P49862 1/20 0.42
BRD9 Q9H8M2 1/20 0.41
GSR P00390 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9954576 0.87 ESR2 (0.41)
SCHEMBL9955061 0.86 PIK3CG (0.48) LMNACYP1A2CCKBRKLK7BRD9
SCHEMBL9954657 0.84 HPD (0.44)
SCHEMBL9954457 0.84 HCAR1 (0.50) SMN1; SMN2
SCHEMBL9954374 0.82 HPD (0.44) MAT2AMEN1KMT2A
SCHEMBL9954100 0.80 SMN1; SMN2 (0.55) LMNACYP1A2TP53KDM4EMEN1
SCHEMBL9954549 0.79 MAT2A (0.43) MAT2A
SCHEMBL9953129 0.78 POLB (0.41)
SCHEMBL9953657 0.78 HCAR1 (0.56) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL10517573 0.77 NPC1 (0.46) CYP1A2KDM4EMEN1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed