SCHEMBL8937746

SCHEMBL8937746

COn1c(Br)c(C#N)c(Br)c1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
PIM1 P11309 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
MAPK1 P28482 1/20 0.38
MAOA P21397 3/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8937646 0.84 MAOA (0.39) KDM4EALDH1A1TDP1HPGDNPSR1
SCHEMBL8937778 0.75 KMT2A (0.38) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL8937684 0.74 MAOB (0.40) ALDH1A1ADORA2AADORA1MAOAMAOB
SCHEMBL9019009 0.71 MAOB (0.45) KDM4EALDH1A1TDP1HPGDNPSR1
SCHEMBL9019106 0.64 MAOB (0.41) KDM4EALDH1A1TDP1HPGDNPSR1
SCHEMBL1165033 0.63 MAPT (0.43) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL12878267 0.62 MAPT (0.49) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL12679744 0.62 ADORA2A (0.54) KDM4EALDH1A1TDP1HPGDNPSR1
SCHEMBL9019071 0.61 MAOB (0.39) KDM4EALDH1A1HPGDMAPTADORA2A
SCHEMBL12878322 0.61 MAPT (0.51) KDM4EALDH1A1HPGDMAPTL3MBTL1

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