SCHEMBL9737398

SCHEMBL9737398

Cc1cc(C(F)(F)F)nc(N(C(N)=O)c2ccccc2C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.37
ALDH1A1 P00352 6/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9737393 0.84 ALDH1A1 (0.43) ALDH1A1HSP90AA1HSP90AB1TSHRMAPT
SCHEMBL9739960 0.84 HSP90AA1 (0.39) GPBAR1ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL9738838 0.83 HSP90AA1 (0.38) GPBAR1ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL9737486 0.81 HSP90AA1 (0.37) GPBAR1ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL9739131 0.79 HCRTR1 (0.42) ALDH1A1HSP90AA1HSP90AB1MAPTHTT
SCHEMBL9738307 0.79 LMNA (0.37) GPBAR1ALDH1A1HSP90AA1HSP90AB1GAA
SCHEMBL9738140 0.76 HSP90AA1 (0.38) GPBAR1ALDH1A1HSP90AA1HSP90AB1MAPT
SCHEMBL9737938 0.75 HSP90AA1 (0.38) ALDH1A1HSP90AA1HSP90AB1MAPTKDM4E
SCHEMBL9737076 0.74 MAPK14 (0.43) ALDH1A1HSP90AA1HSP90AB1GAAMAPT
SCHEMBL9739376 0.73 RBP4 (0.39) ALDH1A1HSP90AA1HSP90AB1TSHRMAPT

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