SCHEMBL9955100

SCHEMBL9955100

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL9954480 0.90 L3MBTL1 (0.46) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9953429 0.90 TP53 (0.45) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9955119 0.89 MAPT (0.46) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9953908 0.88 TP53 (0.47) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9954573 0.86 USP1 (0.47) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9953491 0.85 HCAR1 (0.41) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9954899 0.85 SMN1; SMN2 (0.47) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9953750 0.84 CYP3A4 (0.44) LMNATP53MAPTTHRBCYP1A2
SCHEMBL9955121 0.83 MAPT (0.46) MAPTTHRBCYP1A2CYP3A4CYP2D6
SCHEMBL9953654 0.83 TP53 (0.42) LMNATP53MAPTTHRBCYP1A2

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