SCHEMBL8804352

SCHEMBL8804352

Nc1ccc(NCCCS(=O)(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.54
MAPT P10636 5/20 0.53
POLB P06746 3/20 0.53
PKM P14618 1/20 0.53
KAT2B Q92831 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HCAR3 P49019 2/20 0.49
WNK1 Q9H4A3 1/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8806456 0.92 PRSS1 (0.50) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL9820097 0.83 PRSS1 (0.57) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL19972855 0.82 HCAR3 (0.66) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL8536167 0.81 PRSS1 (0.56) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL109433 0.80 ALDH1A1 (0.62) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL29390674 0.80 ALDH1A1 (0.62) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL5699206 0.80 PRSS1 (0.44) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL2469009 0.79 KAT2B (0.58) PRSS1MAPTKAT2BSMN1; SMN2MAPK1
SCHEMBL27688992 0.77 HCAR3 (0.63) PRSS1MAPTPOLBPKMKAT2B
SCHEMBL12514852 0.77 KAT2B (0.65) PRSS1MAPTPOLBPKMKAT2B

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
EP-0629187-B1 DIRECT-DYEING COLOURING AGENTS FOR NATURAL AND SYNTHETIC FIBRES HENKEL KGAA (DE) 1997-04-23 EP disclosed
EP-0629187-A1 DIRECT-DYEING COLOURING AGENTS FOR NATURAL AND SYNTHETIC FIBRES. HENKEL KGAA (DE) 1994-12-21 EP disclosed
WO-1993017999-A1 DIRECT-DYEING COLOURING AGENTS FOR NATURAL AND SYNTHETIC FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-09-16 WO disclosed