SCHEMBL13679367

SCHEMBL13679367

CN(/C(S)=N\c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
SIGMAR1 Q99720 4/20 0.43
FAAH O00519 1/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
HTR3B O95264 1/20 0.40
PLAU P00749 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40

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
SCHEMBL11260134 0.81 NOS1 (0.48) NOS3NOS1SIGMAR1LMNAHTR3E
SCHEMBL14220039 0.79 FAAH (0.45) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL24201199 0.78 NOS1 (0.50) NOS3NOS1SIGMAR1FAAHPHGDH
SCHEMBL18904948 0.75 FAAH (0.45) NOS3NOS1SIGMAR1FAAHPHGDH
SCHEMBL3911194 0.74 SIGMAR1 (0.42) NOS3NOS1SIGMAR1FAAHPHGDH
SCHEMBL13158308 0.74 FAAH (0.41) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL6831146 0.73 HTR3E (0.38) NOS3NOS1SIGMAR1LMNAHTR3E
Hydrochloric Acid SCHEMBL10950635 0.72 SIGMAR1 (0.37) SIGMAR1LMNAHTR3ESLC22A2SLC22A1
SCHEMBL3030934 0.72 SIGMAR1 (0.43) NOS3NOS1SIGMAR1FAAHPHGDH
SCHEMBL8848448 0.70 KMT2A (0.50) FAAHPHGDHMGLLCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748317-B1 Method for preparation of lithographic printing plate and lithographic printing plate precursor FUJIFILM CORP (JP) 2009-09-16 EP disclosed