SCHEMBL8540702

SCHEMBL8540702

CN(C)C(=O)c1cccn1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.36
RPS6KA2 Q15349 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PABPC1 P11940 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL8305666 0.82 POLB (0.48) POLBKMT2AMEN1CASP3ALDH1A1
SCHEMBL8545658 0.79 POLB (0.44) POLBKMT2AMEN1CASP3CES1
SCHEMBL1966590 0.78 POLB (0.45) POLBSMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL8543267 0.78 CES1 (0.42) POLBSMN1; SMN2KMT2AMEN1CASP3
SCHEMBL8303714 0.78 LMNA (0.43) POLBKMT2ACASP3NPC1ALDH1A1
SCHEMBL8307356 0.76 GRM1 (0.42) POLBSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL8446968 0.76 ALDH1A1 (0.47) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8539713 0.75 POLB (0.41) POLBKMT2AMEN1CASP3HTT
SCHEMBL8880732 0.75 NPC1 (0.51) SMN1; SMN2KMT2AMEN1CASP3RPS6KA2
SCHEMBL8545476 0.74 SLC18A3 (0.40) POLBSMN1; SMN2KMT2ACASP3NPC1

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