SCHEMBL7572064

SCHEMBL7572064

CCCc1nc(Cl)c(CCO)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
POLB P06746 1/20 0.32
PDK4 Q16654 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL606 0.87 PDK2 (0.37) PDK2GLAADORA3ADORA2AADORA1
SCHEMBL225 0.76 ALDH1A1 (0.41) KDM4EMEN1KMT2A
SCHEMBL9156390 0.74 GLA (0.39) PDK2GLAADORA3ADORA2AADORA1
SCHEMBL3101106 0.74 KDM4E (0.31) KDM4EMEN1KMT2A
SCHEMBL129 0.74 GPR84 (0.45) KMT2A
SCHEMBL9081842 0.74 GPR84 (0.45) KMT2A
SCHEMBL13237851 0.71 ALDH1A1 (0.33) PDK2
SCHEMBL3027998 0.71 GAA (0.39) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL8790906 0.70 ALDH1A1 (0.42)
SCHEMBL3105280 0.70 PDK2 (0.44) PDK2GLAPDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed