SCHEMBL9738838

SCHEMBL9738838

Cc1cc(C(F)(F)F)nc(N(C(N)=O)c2ccccc2I)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 7/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RBP4 P02753 1/20 0.33
POLB P06746 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
SCHEMBL9739960 0.87 HSP90AA1 (0.39) HSP90AA1HSP90AB1KMT2AALDH1A1TSHR
SCHEMBL9737393 0.87 ALDH1A1 (0.43) HSP90AA1HSP90AB1KMT2AALDH1A1TSHR
SCHEMBL9737486 0.84 HSP90AA1 (0.37) HSP90AA1HSP90AB1KMT2AALDH1A1TSHR
SCHEMBL9737398 0.83 GPBAR1 (0.37) HSP90AA1HSP90AB1KMT2AALDH1A1TSHR
SCHEMBL9739131 0.82 HCRTR1 (0.42) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL9738307 0.81 LMNA (0.37) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL9738140 0.79 HSP90AA1 (0.38) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL9737938 0.78 HSP90AA1 (0.38) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL9737076 0.77 MAPK14 (0.43) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL9739376 0.75 RBP4 (0.39) HSP90AA1HSP90AB1KMT2AALDH1A1TSHR

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