SCHEMBL7815633

SCHEMBL7815633

CCCCSc1ccc2c(c1)C(=N)NC2=N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
MAOA P21397 8/20 0.40
MAOB P27338 8/20 0.40
XDH P47989 1/20 0.37
CNR2 P34972 1/20 0.34
TLR8 Q9NR97 1/20 0.33
THRB P10828 2/20 0.33
SLC2A1 P11166 1/20 0.33
S100A4 P26447 1/20 0.32
SOAT1 P35610 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
THRA P10827 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31

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
SCHEMBL8955102 0.88 CNR2 (0.41) ARMAOAMAOBXDHCNR2
SCHEMBL7827200 0.83 MAOA (0.38) MAOAMAOB
SCHEMBL8638831 0.73 AR (0.51) ARMAOAMAOBXDHCNR2
SCHEMBL5887468 0.72 MAOA (0.62) ARMAOAMAOBXDHTHRB
SCHEMBL5377542 0.72 CA1 (0.47) ARMAOAMAOBXDHTHRB
SCHEMBL7260303 0.72 AR (0.47) ARMAOAMAOBXDHTLR8
SCHEMBL11295867 0.71 SOAT1 (0.55) MAOAMAOBCNR2S100A4SOAT1
SCHEMBL7815407 0.69 PTGS2 (0.39) TLR8S100A4SOAT1NPC1RAB9A
SCHEMBL15119585 0.69 SOAT1 (0.43) MAOAMAOBCNR2THRBSOAT1
SCHEMBL22755735 0.68 AR (0.47) ARMAOAMAOBXDHCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed
EP-0623923-A1 Optical recording medium TOYO INK MANUFACTURING CO., LTD. (JP) 1994-11-09 EP disclosed
US-5348840-A Optical recording medium TOYO INK MANUFACTURING CO., LTD. (JP) 1994-09-20 US disclosed