SCHEMBL6818591

SCHEMBL6818591

COCOc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
VCAM1 P19320 3/20 0.48
MERTK Q12866 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
KAT2B Q92831 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESRRA P11474 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL31432402 0.85 TRPV4 (0.54) MAPTVCAM1MERTKKMT2AMEN1
SCHEMBL224136 0.83 VCAM1 (0.54) MAPTVCAM1MERTKKMT2AMEN1
SCHEMBL31432638 0.83 MAPT (0.53) MAPTVCAM1MERTKKMT2AMEN1
SCHEMBL31431100 0.82 MAPT (0.59) MAPTVCAM1MERTKKMT2AMEN1
SCHEMBL6549707 0.79 VCAM1 (0.47) MAPTVCAM1MERTKKMT2AMEN1
SCHEMBL15170403 0.78 AR (0.45) MAPTTRPV4
SCHEMBL23628998 0.78 MAOB (0.51) MAPTVCAM1KMT2AMEN1NPC1
SCHEMBL7070030 0.78 MAPT (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL22897608 0.78 MAPT (0.42) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31441975 0.78 MAPT (0.42) MAPTKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed