SCHEMBL8937684

SCHEMBL8937684

COn1c(Br)c(C#N)c(Br)c1-c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.35
FLT4 P35916 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK2A1 P68400 1/20 0.34
DYRK1A Q13627 1/20 0.34
AURKB Q96GD4 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
RET P07949 4/20 0.34
PDE3A Q14432 1/20 0.33
MAOA P21397 1/20 0.33
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL8937779 0.84 MAOB (0.41) MAOBADORA1ADORA2AFLT4MAPK8
SCHEMBL9019009 0.77 MAOB (0.45) MAOBMAOAALDH1A1
SCHEMBL8937746 0.74 KDM4E (0.41) MAOBADORA1ADORA2AMAOAALDH1A1
SCHEMBL9019106 0.67 MAOB (0.41) MAOBMAOAALDH1A1
SCHEMBL9019071 0.64 MAOB (0.39) MAOBADORA1ADORA2AMAOAALDH1A1
SCHEMBL9019084 0.64 MAOB (0.44) MAOBMAOAALDH1A1
SCHEMBL14205986 0.63 MAOA (0.46) MAOBRETMAOA
SCHEMBL9018993 0.62 MAOB (0.45) MAOBMAOAALDH1A1
SCHEMBL7018471 0.59 RET (0.58) ADORA1ADORA2ADYRK1ARETPDE3A
SCHEMBL9019076 0.59 MAPT (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563166-A Thienyl- and furylpyrrole fungicidal agents AMERICAN CYANAMID CO. (US) 1996-10-08 US disclosed
US-5492925-A PROTECTING PLANTS AMERICAN CYANAMID COMPANY (US) 1996-02-20 US disclosed
US-5480902-A Thienylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-02 US disclosed
EP-0641794-A1 Thienyl- and furylpyrrole derivatives, their preparation and their use as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1995-03-08 EP disclosed