SCHEMBL9696178

SCHEMBL9696178

COCCOc1cc(-c2nn(C)c(S(C)(=O)=O)c2Cl)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SCN9A Q15858 5/20 0.33
KMO O15229 1/20 0.33
EGFR P00533 1/20 0.33
RORC P51449 1/20 0.32
NTRK1 P04629 1/20 0.32
KDR P35968 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9530862 0.88 PPOX (0.35) POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL9531431 0.88 KIT (0.31) KITMAPT
SCHEMBL9530563 0.87 PTGS2 (0.39) MAPTALDH1A1SCN9AHPGDSMN1; SMN2
SCHEMBL9534173 0.84 PTGDR2 (0.39) ALDH1A1HPGDHTT
SCHEMBL8356733 0.84 PGK1 (0.35) EGFR
SCHEMBL6912540 0.81 ALDH1A1 (0.40) KITPOLBL3MBTL1ALDH1A1KMO
SCHEMBL9696367 0.81 KDM4E (0.31)
SCHEMBL9531683 0.79 PGK1 (0.32)
SCHEMBL9531883 0.78 ALDH1A1 (0.34) POLBMAPTALDH1A1SCN9ASMN1; SMN2
SCHEMBL9529358 0.77 KDM4E (0.35) ALDH1A1SCN9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO claimed