SCHEMBL6402867

SCHEMBL6402867

N#Cc1cc([NH])c(Cl)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
VCAM1 P19320 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PGK1 P00558 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KHK P50053 1/20 0.31
CYP11B2 P19099 1/20 0.31
AR P10275 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP2A6 P11509 1/20 0.31
IDO1 P14902 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
SCHEMBL29827885 0.81 TRPV4 (0.48) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL522162 0.81 TRPV4 (0.48) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL145418 0.75 TRPV4 (0.54) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL6502273 0.70 TRPV4 (0.50) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL6402873 0.70 GAA (0.52) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL769651 0.70 KHK (0.48) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL21917738 0.70 MAPK1 (0.44) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL56906 0.67 USP8 (0.40) TRPV4MAOAMAOBALDH1A1
SCHEMBL10945357 0.67 TRPV4 (0.52) TRPV4MAPK1MAOAMAOBVCAM1
SCHEMBL6650319 0.67 TRPV4 (0.63) TRPV4MAOAMAOBCYP11B2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed