SCHEMBL9808973

SCHEMBL9808973

O=[N+]([O-])c1ccc(Cl)c(-c2ccc([S+]([O-])c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
VCAM1 P19320 1/20 0.44
PTPRC P08575 3/20 0.42
S100A4 P26447 2/20 0.42
PTGS2 P35354 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 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
SCHEMBL27652680 0.80 HSD17B10 (0.58) HSD17B10VCAM1PTPRCS100A4PTGS2
SCHEMBL10505466 0.79 HSD17B10 (0.45) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL1576857 0.75 ALDH1A1 (0.52) HSD17B10KMT2AALDH1A1TDP1MEN1
SCHEMBL9808930 0.75 HSD17B10 (0.51) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL9808964 0.74 HSD17B10 (0.50) HSD17B10VCAM1PTPRCS100A4KMT2A
SCHEMBL1241730 0.74 FFAR4 (0.48) HSD17B10VCAM1KMT2AALDH1A1MEN1
SCHEMBL9808975 0.73 CYP3A4 (0.42) HSD17B10KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL10452388 0.73 HSD17B10 (0.49) HSD17B10VCAM1PTPRCS100A4KMT2A
SCHEMBL9808985 0.72 HSD17B10 (0.51) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL21020739 0.72 MAPT (0.48) HSD17B10VCAM1PTGS2KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985463-A Aminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-01-15 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed