SCHEMBL6759246

SCHEMBL6759246

Nc1cccc(C(c2cccc(N)c2S)(C(F)(F)F)C(F)(F)F)c1S

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CA P42336 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6759273 0.83 CYP3A4 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL10494591 0.83 POLB (0.38) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL8655007 0.78 CD44 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL29380196 0.78 SMN1; SMN2 (0.43) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL2800809 0.78 SMN1; SMN2 (0.43) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL30390082 0.75 MMP2 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL8174823 0.75 TSHR (0.33) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL6759280 0.75 MAPK1 (0.33) TSHRALDH1A1HPGDHSD17B10TDP1
SCHEMBL6757407 0.75 MMP2 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL8598354 0.75 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1HPGDHSD17B10

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
US-20040152862-A1 Optical resins and applications thereof HITACHI CHEMICAL CO., LTD. (JP) 2004-08-05 US disclosed