SCHEMBL6759328

SCHEMBL6759328

Nc1cc(C(F)(F)c2ccc(S)c(N)c2)ccc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
CFTR P13569 1/20 0.37
KIF11 P52732 2/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN5 P54829 2/20 0.34
RECQL P46063 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL657504 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29697575 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL29892011 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL444567 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL23411125 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL295863 0.84 ESR1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29464084 0.84 ESR1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL16593687 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL6757387 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL25211449 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EPKMHPGDHSD17B10

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