SCHEMBL6550866

SCHEMBL6550866

C=CCc1c(C#N)ccc(N)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
XDH P47989 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11619563 0.79 IMPDH2 (0.41) IMPDH2TP53MAPTHSD17B10CYP1A2
SCHEMBL5014352 0.76 SRD5A1 (0.41) GABRA1GABRB2TP53MAPTHSD17B10
SCHEMBL6550684 0.75 USP7 (0.35) MAPTHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL34464532 0.73 GABRA1 (0.33) GABRA1GABRB2MAPTMAPK1XDH
SCHEMBL31467839 0.73 TRPV4 (0.33) GABRA1GABRB2CYP1A2CYP3A4XDH
SCHEMBL10390703 0.72 GABRA1 (0.38) GABRA1GABRB2MAPTTSHRMAPK1
SCHEMBL2170315 0.72 KDM4E (0.33) GABRA1GABRB2MAPTHSD17B10CYP1A2
SCHEMBL20554684 0.70 PLA2G7 (0.40) MAPTCYP1A2CYP3A4KDM4E
SCHEMBL9014962 0.70 XDH (0.38) IMPDH2GABRA1GABRB2MAPTXDH
SCHEMBL7636228 0.70 SRD5A1 (0.39) GABRA1GABRB2MAPTCYP1A2CYP3A4

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 9 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-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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