SCHEMBL9737486

SCHEMBL9737486

CSc1ccccc1N(C(N)=O)c1nc(C)cc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CRHR1 P34998 1/20 0.35
ALDH1A1 P00352 7/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL9737393 0.85 ALDH1A1 (0.43) HSP90AA1HSP90AB1CRHR1ALDH1A1MAPT
SCHEMBL9739960 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTHSD17B10
SCHEMBL9738838 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1MAPTHSD17B10
SCHEMBL9737398 0.81 GPBAR1 (0.37) HSP90AA1HSP90AB1ALDH1A1MAPTTP53
SCHEMBL9739131 0.80 HCRTR1 (0.42) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL9738307 0.80 LMNA (0.37) HSP90AA1HSP90AB1ALDH1A1MAPTHSD17B10
SCHEMBL9738140 0.77 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1MAPTHSD17B10
SCHEMBL9737938 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1MAPTHSD17B10
SCHEMBL9737076 0.75 MAPK14 (0.43) HSP90AA1HSP90AB1ALDH1A1MAPTL3MBTL1
SCHEMBL9739376 0.74 RBP4 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5159078-A Herbicides, plant growth regulator CIBA-GEIGY CORPORATION (US) 1992-10-27 US disclosed
US-4966622-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-10-30 US disclosed