SCHEMBL8937646

SCHEMBL8937646

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 8/20 0.36
HPGD P15428 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 3/20 0.36
MAPT P10636 6/20 0.35
GAA P10253 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 1/20 0.35
GLA P06280 3/20 0.35
PIM1 P11309 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL8937746 0.84 KDM4E (0.41) MAOAALDH1A1KDM4EHPGDNPSR1
SCHEMBL8937712 0.68 MAOA (0.49) MAOAALDH1A1KDM4EHPGDMAOB
SCHEMBL2387712 0.58 ERN1 (0.56) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL1165033 0.57 MAPT (0.43) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL3545 0.57 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL16291133 0.57 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL29805004 0.56 MAOA (0.45) MAOAALDH1A1KDM4EHPGDTDP1
SCHEMBL4344657 0.56 LTA4H (0.52) ALDH1A1KDM4EHPGDNPSR1TDP1
SCHEMBL12878267 0.56 MAPT (0.49) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL12679744 0.56 ADORA2A (0.54) ALDH1A1KDM4EHPGDNPSR1TDP1

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