SCHEMBL9281180

SCHEMBL9281180

NC(=O)COc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
PTGS1 P23219 6/20 0.51
PTGS2 P35354 6/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL31588531 0.86 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL1615034 0.86 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL9383567 0.81 KMT2A (0.57) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL8764422 0.81 MEN1 (0.61) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL3097517 0.80 MEN1 (0.63) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL11100098 0.80 KMT2A (0.60) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL6632291 0.79 CYP1A2 (0.54) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL11065907 0.79 MEN1 (0.69) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL10520519 0.79 MEN1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL1632866 0.78 PTGS1 (0.58) KMT2AMEN1PTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442074-A Sulfonyl containing fluorobenzothiazole as chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed
US-5356864-A New herbicidal fluorobenzothiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
EP-0588183-A1 Fluoro benzothiazolyloxyacetamide BAYER AG (DE) 1994-03-23 EP disclosed
US-5234896-A Herbicidal 7-chloro-benzothiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-10 US disclosed
EP-0510479-A1 7-Chloro-benzothiazolyloxyacetamide BAYER AG (DE) 1992-10-28 EP disclosed