SCHEMBL9737393

SCHEMBL9737393

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
RBP4 P02753 8/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CRHR1 P34998 2/20 0.38
CYP3A4 P08684 1/20 0.37
CD38 P28907 1/20 0.37
TTR P02766 2/20 0.36
PHGDH O43175 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL9739960 0.88 HSP90AA1 (0.39) ALDH1A1TSHRHSP90AA1HSP90AB1CYP3A4
SCHEMBL9738838 0.87 HSP90AA1 (0.38) ALDH1A1TSHRRBP4HSP90AA1HSP90AB1
SCHEMBL9737486 0.85 HSP90AA1 (0.37) ALDH1A1TSHRHSP90AA1HSP90AB1CRHR1
SCHEMBL9737398 0.84 GPBAR1 (0.37) ALDH1A1TSHRHSP90AA1HSP90AB1MEN1
SCHEMBL9739376 0.83 RBP4 (0.39) ALDH1A1TSHRRBP4HSP90AA1HSP90AB1
SCHEMBL9739131 0.83 HCRTR1 (0.42) ALDH1A1HSP90AA1HSP90AB1TTRMEN1
SCHEMBL9738307 0.82 LMNA (0.37) ALDH1A1HSP90AA1HSP90AB1CYP3A4CD38
SCHEMBL9737104 0.81 LMNA (0.40) ALDH1A1TSHRRBP4HSP90AA1HSP90AB1
SCHEMBL9738140 0.80 HSP90AA1 (0.38) ALDH1A1HSP90AA1HSP90AB1MEN1MAPT
SCHEMBL9737938 0.79 HSP90AA1 (0.38) ALDH1A1HSP90AA1HSP90AB1CD38PHGDH

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