SCHEMBL8937568

SCHEMBL8937568

N#Cc1[nH]cc(-c2cccs2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
PIM1 P11309 4/20 0.49
MAPT P10636 5/20 0.48
ADORA2A P29274 5/20 0.47
ADORA1 P30542 5/20 0.47
HSD17B10 Q99714 3/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HCRTR1 O43613 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2B P29275 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12679744 0.74 ADORA2A (0.54) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL5184144 0.71 PIM1 (0.61) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL12679799 0.70 KDM4E (0.55) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL768849 0.69 ADORA2A (0.49) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL11937866 0.69 KDM4E (0.44) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL27278615 0.69 ADORA2A (0.49) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL5325996 0.68 ADORA2A (0.55) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL5776802 0.68 ADORA1 (0.55) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL12878267 0.67 MAPT (0.49) KDM4EPIM1MAPTADORA2AADORA1
SCHEMBL3092232 0.67 ADORA2A (0.43) KDM4EPIM1MAPTADORA2AADORA1

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