SCHEMBL9955263

SCHEMBL9955263

COc1ccccc1-n1c(=S)[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
MEN1 O00255 3/20 0.60
ALOX12 P18054 2/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 2/20 0.58
ALDH1A1 P00352 5/20 0.56
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
RXFP1 Q9HBX9 3/20 0.49
PRNP P04156 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL9954263 0.86 CA12 (0.48) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL9952831 0.84 KDM4E (0.58) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL9954834 0.82 CA12 (0.57) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL9954771 0.82 KDM4E (0.54) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL9952534 0.81 CA12 (0.56) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL9953653 0.80 CA12 (0.51) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL9953725 0.80 CA12 (0.65) KMT2AMEN1HPGDALDH1A1CA12
SCHEMBL9954144 0.79 ALDH1A1 (0.71) KMT2AMEN1HPGDHTTALDH1A1
SCHEMBL9952357 0.78 CA12 (0.57) KMT2ANPSR1MEN1ALOX12HPGD
SCHEMBL10288885 0.77 CA12 (0.51) KMT2AMEN1HTTCA12CA1

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