SCHEMBL7694792

SCHEMBL7694792

NS(=O)(=O)c1cccc([N+](=O)[O-])c1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CA2 P00918 8/20 0.44
CA9 Q16790 5/20 0.44
CA1 P00915 5/20 0.44
CA12 O43570 4/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL7159890 0.82 GPR35 (0.54) KMT2AMEN1ALDH1A1GPR35KDM4E
SCHEMBL30678498 0.81 F2 (0.45) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL3974928 0.79 SMN1; SMN2 (0.47) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL7027335 0.79 GPR35 (0.55) KMT2AMEN1ALDH1A1GPR35KDM4E
SCHEMBL31437144 0.78 KMT2A (0.44) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL29052405 0.78 KMT2A (0.44) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL1548597 0.78 FBP1 (0.45) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL4690711 0.78 KMT2A (0.48) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL7643805 0.78 GPR35 (0.46) KMT2AMEN1ALDH1A1LMNAGPR35
SCHEMBL3393735 0.78 GPR35 (0.46) KMT2AMEN1ALDH1A1GPR35MAPT

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