SCHEMBL9737252

SCHEMBL9737252

NC(=O)N(c1nc(C2CC2)cc(C(F)(F)F)n1)c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
TACR1 P25103 5/20 0.33
CYP3A4 P08684 4/20 0.33
CRACR2A Q9BSW2 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9738140 0.82 HSP90AA1 (0.38) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL9737730 0.80 TLR8 (0.35) TLR8HCRTR1HCRTR2CRACR2AKDM4E
SCHEMBL9739162 0.78 MAPK14 (0.38) TLR8HCRTR1HCRTR2CRACR2ATRPV1
SCHEMBL9737369 0.77 MAPK14 (0.40) TLR8CRACR2ATRPV1RXFP1KDM4E
SCHEMBL9739960 0.69 HSP90AA1 (0.39) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL9739285 0.67 CYP3A4 (0.39) CYP3A4RXFP1
SCHEMBL30531475 0.65 PDK1 (0.44) TLR8KDM4EALDH1A1GAAMAPT
SCHEMBL10400743 0.64 SMN1; SMN2 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9739910 0.63 PDE4B (0.35) CYP3A4TRPV1ALDH1A1GAAHPGD
SCHEMBL9738579 0.63 PRKD3 (0.43) HCRTR1HCRTR2

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