SCHEMBL9953429

SCHEMBL9953429

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NCF1 P14598 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACP1 P24666 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APP P05067 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL9953654 0.91 TP53 (0.42) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9954475 0.91 MEN1 (0.44) TP53LMNATHRBMAPTCYP3A4
SCHEMBL9954480 0.90 L3MBTL1 (0.46) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9953016 0.90 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9955100 0.90 P2RX7 (0.46) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9955119 0.90 MAPT (0.46) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9953908 0.89 TP53 (0.47) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9954573 0.89 USP1 (0.47) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9953491 0.87 HCAR1 (0.41) TP53LMNATHRBMAPTCYP1A2
SCHEMBL9954411 0.86 CA12 (0.44) TP53LMNATHRBMAPTCYP3A4

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