SCHEMBL9955673

SCHEMBL9955673

CN(c1ccccc1)S(=O)(=O)c1cc(Br)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
SHMT2 P34897 1/20 0.43
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL27895093 0.87 KMT2A (0.42) MEN1KMT2ANPC1ALDH1A1SHMT2
SCHEMBL27895096 0.86 MEN1 (0.47) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL27895094 0.82 MEN1 (0.48) MEN1KMT2ANPC1ALDH1A1MCOLN3
SCHEMBL9958946 0.81 KMT2A (0.47) KDM4EMEN1KMT2AALDH1A1MCOLN3
SCHEMBL732352 0.81 NPC1 (0.52) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL27895098 0.79 MEN1 (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL11139152 0.77 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1MCOLN3
SCHEMBL855488 0.75 HSD17B10 (0.48) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL14247593 0.75 PDGFRB (0.49) KDM4EKMT2AALDH1A1MCOLN3PKM
SCHEMBL9953525 0.75 TSHR (0.50) KDM4EMEN1KMT2ANPC1ALDH1A1

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