SCHEMBL8842964

SCHEMBL8842964

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(C(F)(F)F)n1.[Na]

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
CA2 P00918 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR4 P51679 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8843178 0.99 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1MAPTCA12
SCHEMBL11636558 0.88 ALDH1A1 (0.66) ALDH1A1KDM4ENPC1MAPTCA12
SCHEMBL30116869 0.88 MAPT (0.45) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL29508588 0.88 MAPT (0.45) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL53993 0.88 MAPT (0.45) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL6829101 0.87 MAPT (0.44) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11155233 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTCA12
SCHEMBL9749899 0.86 MAPT (0.46) ALDH1A1KDM4ENPC1MAPTCA12
SCHEMBL9364251 0.86 MAPT (0.43) ALDH1A1KDM4ENPC1MAPTCA1
Chlorsulfuron SCHEMBL7902297 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTCA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635450-A Herbicidal N-[(1, 3, 5-Triazin-2-yl)-aminocarbonyl]-benzenesulfonamides BASF AKTIENGESELLSCHAFT (DE) 1997-06-03 US disclosed
US-5478798-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed