SCHEMBL8540609

SCHEMBL8540609

CC(=O)c1cccn1NS(=O)(=O)NC(=O)Nc1nc(C)cc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32
PCTP Q9UKL6 2/20 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
SCHEMBL8539774 0.92 ALOX15 (0.47) KMT2AALOX15GAAALDH1A1TSHR
SCHEMBL8546154 0.86 GAA (0.43) ALOX15GAACYP1A2ALDH1A1TSHR
SCHEMBL8540681 0.81 GAA (0.49) KMT2AALOX15GAACYP1A2ALDH1A1
SCHEMBL8546504 0.80 MAPT (0.38) ALOX15GAAALDH1A1NPC1MAPT
SCHEMBL11061657 0.73 KMT2A (0.56) KMT2AALOX15GAACYP1A2CASP1
SCHEMBL8545790 0.72 GAA (0.49) KMT2AALOX15GAACYP1A2ALDH1A1
SCHEMBL8540689 0.71 GAA (0.47) KMT2AALOX15GAACYP1A2TSHR
SCHEMBL8544311 0.70 CDK1 (0.48) KMT2AALOX15GAACYP1A2ALDH1A1
SCHEMBL8545224 0.69 GAA (0.46) KMT2AGAACYP1A2TSHRSMN1; SMN2
SCHEMBL8829538 0.69 GAA (0.48) KMT2AALOX15GAACYP1A2SMN1; 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