SCHEMBL8540939

SCHEMBL8540939

CN(C)C(=O)c1cccn1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PABPC1 P11940 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KEAP1 Q14145 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL6773752 0.78 RAB9A (0.46) ALDH1A1HSD17B10KMT2ASMN1; SMN2MEN1
SCHEMBL3827167 0.77
Hydrochloric Acid SCHEMBL3821986 0.75 BAZ2B (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL782203 0.74
SCHEMBL1269750 0.74
SCHEMBL8308338 0.73 MAOB (0.40) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL11199893 0.73 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EGAAPABPC1
Hydrochloric Acid SCHEMBL28339228 0.72 LMNA (0.43) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL1962839 0.72 KDM4E (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL8541004 0.72 MAPT (0.37) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2

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
EP-0648764-B1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-12-16 EP disclosed
US-5612287-A N-(substituted amino) pyrrole derivatives preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-03-18 US disclosed
US-5604178-A N-(substituted amino)pyrrole derivatives, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-02-18 US disclosed
EP-0648764-A1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-04-19 EP disclosed