SCHEMBL7694789

SCHEMBL7694789

CC(O)c1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
GPR35 Q9HC97 2/20 0.41
CA12 O43570 1/20 0.41
THRB P10828 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL8911863 0.82 TDP1 (0.54) TDP1GPR35HSD17B10ALDH1A1GLA
SCHEMBL1807309 0.79 TDP1 (0.62) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL14028230 0.79 GPR35 (0.55) KMT2AMEN1TDP1GPR35MAPT
SCHEMBL4946630 0.79 GPR35 (0.55) KMT2AMEN1TDP1GPR35MAPT
SCHEMBL7534908 0.76 GPR35 (0.62) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9101870 0.75 KMT2A (0.47) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9101872 0.75 KMT2A (0.47) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL1548597 0.75 FBP1 (0.45) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL4875174 0.75 KMT2A (0.44) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL4158554 0.75 KMT2A (0.70) KMT2AMEN1F2PRSS1PRSS2

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-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed