SCHEMBL10482176

SCHEMBL10482176

COS(=O)(=O)c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL27609739 0.85 TDP1 (0.56) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL29508624 0.84 KMT2A (0.63) TDP1KMT2AMEN1F2PRSS1
SCHEMBL1317710 0.84 KMT2A (0.63) TDP1KMT2AMEN1F2PRSS1
SCHEMBL10654745 0.83 KMT2A (0.49) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL9356245 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10700952 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL9574478 0.80 HTR6 (0.35) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL6616509 0.79 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6616502 0.79 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1807309 0.79 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1

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
EP-0310944-A2 Bisoxethylsulfonylmethyl anilines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-12 EP disclosed