SCHEMBL7100910

SCHEMBL7100910

c1ccc(Cc2nc(-c3ccsc3)c[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
PDGFRB P09619 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RET P07949 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 1/20 0.37
CDK8 P49336 1/20 0.36
GAA P10253 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL14334208 0.86 RET (0.40) PDGFRBNR1H2CYP17A1CYP11B1CYP11B2
SCHEMBL14060516 0.85 HTR3A (0.39) GSK3BCYP2E1CYP2A6CYP2B6NR1H2
SCHEMBL14334131 0.84 MAPK1 (0.40) PDGFRBRETPRMT6PDE5A
SCHEMBL3856407 0.82 NR1H2 (0.50) GSK3BNR1H2NR1H3TAAR1LTA4H
SCHEMBL7103801 0.82 NPC1 (0.46) PDGFRBCYP17A1CYP11B1CYP11B2RET
SCHEMBL14334462 0.82 PDGFRB (0.39) PDGFRBCYP17A1CYP11B1CYP11B2RET
SCHEMBL14334688 0.81 MAPT (0.39) CYP2E1CYP2A6CYP2B6PDGFRBKDM4E
SCHEMBL14334743 0.80 RET (0.43) PDGFRBRET
SCHEMBL14334043 0.79 MEN1 (0.43) CYP2E1CYP2A6CYP2B6PDGFRBCYP17A1
SCHEMBL14060134 0.78 SMN1; SMN2 (0.41) PDGFRBCYP11B1CYP11B2KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500357-A 2003-01-07 JP claimed
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP claimed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 WO claimed
US-9649713-B2 Surface treating composition for copper and copper alloy and utilization thereof SHIKOKU CHEMICALS CORPORATION (JP) 2017-05-16 US disclosed
CN-103620088-B For surface treating composition and the utilization thereof of copper and copper alloy SHIKOKU CHEMICALS CORP. (JP) 2015-11-25 CN disclosed
EP-2721195-B1 SURFACE TREATING COMPOSITION FOR COPPER AND COPPER ALLOY AND UTILIZATION THEREOF SHIKOKU CHEM (JP) 2015-07-08 EP disclosed
US-20140131080-A1 SURFACE TREATING COMPOSITION FOR COPPER AND COPPER ALLOY AND UTILIZATION THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2014-05-15 US disclosed
EP-2721195-A1 SURFACE TREATING COMPOSITION FOR COPPER AND COPPER ALLOY AND UTILIZATION THEREOF Shikoku Chemicals Corporation (JP) 2014-04-23 EP disclosed
CN-103620088-A Surface treating composition for copper and copper alloy and utilization thereof SHIKOKU CHEM 2014-03-05 CN disclosed
WO-2012176591-A1 SURFACE TREATING COMPOSITION FOR COPPER AND COPPER ALLOY AND UTILIZATION THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2012-12-27 WO disclosed