SCHEMBL8639009

SCHEMBL8639009

NCC(OP(O)(=S)S)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
HTR2A P28223 2/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
NOS2 P35228 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GABBR2 O75899 2/20 0.37
GABBR1 Q9UBS5 2/20 0.37
HRH1 P35367 1/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL9231169 0.84 LMNA (0.41) NOS2
SCHEMBL8149025 0.82 SRC (0.42) TAAR1HTR2ACHRNB2CHRNA4NOS2
SCHEMBL8642923 0.81 KDM4E (0.35) TAAR1
SCHEMBL8146390 0.80 SCN1A (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL8645901 0.80 HTR2A (0.46) HTR2ASLC6A2SLC6A4SLC6A3HRH1
SCHEMBL29025201 0.80 SRC (0.44) TAAR1HTR2ACHRNB2CHRNA4NOS2
SCHEMBL8642271 0.79 GABRA1 (0.34) TAAR1NOS2SLC6A2
SCHEMBL8153170 0.79 PGK1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL8154367 0.75 ADRA2A (0.34)
SCHEMBL8154407 0.70 TRPA1 (0.37)

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
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed