SCHEMBL9737730

SCHEMBL9737730

NC(=O)N(c1nc(C2CC2)cc(C(F)(F)F)n1)c1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
POLB P06746 2/20 0.33
GRM2 Q14416 1/20 0.32
HPGD P15428 5/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRACR2A Q9BSW2 1/20 0.32
RAF1 P04049 1/20 0.32
GAA P10253 2/20 0.31
HDAC4 P56524 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9737252 0.80 TLR8 (0.35) TLR8HPGDCRACR2AGAAMAPT
SCHEMBL9737369 0.79 MAPK14 (0.40) TLR8HPGDCRACR2ARAF1GAA
SCHEMBL9737374 0.78 KDM4E (0.46) TLR8POLBHPGDMAPTNPSR1
SCHEMBL9739162 0.76 MAPK14 (0.38) TLR8CRACR2AHCRTR1HCRTR2
SCHEMBL9739960 0.69 HSP90AA1 (0.39) HPGDMAPTLMNAMEN1HTT
SCHEMBL9737393 0.69 ALDH1A1 (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL9738838 0.68 HSP90AA1 (0.38) POLBHPGDCYP1A2GAAMAPT
SCHEMBL9737486 0.67 HSP90AA1 (0.37) POLBHPGDCYP1A2GAAMAPT
SCHEMBL9739285 0.67 CYP3A4 (0.39) CYP2D6LMNAMEN1KMT2A
SCHEMBL9739031 0.66 KMT2A (0.39) POLBHPGDCYP1A2GAAMAPT

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