SCHEMBL6734336

SCHEMBL6734336

CCSc1cccc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
HTR7 P34969 1/20 0.39
SCN4A P35499 4/20 0.35
ELANE P08246 2/20 0.35
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SLC6A4 P31645 1/20 0.32
MAOA P21397 1/20 0.32
MAP2K7 O14733 1/20 0.32
S100A4 P26447 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
MEN1 O00255 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
SCHEMBL26909710 0.81 POLB (0.38) CD44CYP3A4AOC3RAB9ASMN1; SMN2
SCHEMBL3883291 0.78 MCHR1 (0.47) HTR7RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL31598948 0.78 CD44 (0.54) CD44HTR7CYP3A4TDP1RAB9A
SCHEMBL11809282 0.78 CD44 (0.54) CD44HTR7CYP3A4TDP1RAB9A
SCHEMBL3793543 0.78 ALDH1A1 (0.38) HTR7CYP3A4AOC3SMN1; SMN2HPGD
SCHEMBL30908373 0.76 CD44 (0.52) CD44HTR7CYP3A4TDP1TSHR
SCHEMBL10423683 0.76 CD44 (0.52) CD44HTR7CYP3A4TDP1TSHR
SCHEMBL3781543 0.75 LIPG (0.33) AOC3HPGDTSHRMAPK1HTT
Propane SCHEMBL28749324 0.74 CD44 (0.62) CD44SCN4ACYP3A4TDP1HPGD
SCHEMBL3789786 0.73 HTR7 (0.45) HTR7HTTMAP2K7S100A4CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677277-B1 Substituted sulphonyl amino(thio)carbonyl compounds and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
EP-0906293-B1 SUBSTITUTED SULPHONYL AMINO(THIO)CARBONYL COMPOUNDS AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-09-17 EP disclosed
CN-1084737-C Substituted sulphonyl amino (thio) carbonyl compounds and their use as herbicides BAYER AG (DE) 2002-05-15 CN disclosed
CN-1226889-A Substituted sulphonyl amino (thio) carbonyl compounds and their use as herbicides BAYER AG (DE) 1999-08-25 CN disclosed
EP-0906293-A1 SUBSTITUTED SULPHONYL AMINO(THIO)CARBONYL COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997046540-A1 SUBSTITUTED SULPHONYL AMINO(THIO)CARBONYL COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed