SCHEMBL9954366

SCHEMBL9954366

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL790689 0.92 ALPL (0.51) ALPLTSHRALDH1A1KMT2AMEN1
SCHEMBL14317978 0.91 ALPL (0.50) ALPLTSHRALDH1A1KMT2AMEN1
SCHEMBL789809 0.90 ALPL (0.49) ALPLTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL14247722 0.84 PIK3CA (0.46) ALPLTSHRALDH1A1NPSR1KMT2A
SCHEMBL9954690 0.83 ALPL (0.57) ALPLLMNASMN1; SMN2
SCHEMBL1502534 0.79 ALPL (0.56) ALPL
SCHEMBL16102819 0.79 ALPL (0.39) ALPLKMT2A
SCHEMBL9953577 0.78 ALPL (0.54) ALPLTSHRALDH1A1HTTBRD4
SCHEMBL9954016 0.78 TSHR (0.50) TSHRALDH1A1NPSR1KMT2ANPC1
SCHEMBL9953472 0.77 ALPL (0.62) ALPL

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-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed