SCHEMBL9737369

SCHEMBL9737369

NC(=O)N(c1nc(C2CC2)cc(C(F)(F)F)n1)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
TLR8 Q9NR97 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
IDO1 P14902 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
CRACR2A Q9BSW2 2/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
RAF1 P04049 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP17A1 P05093 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
SCHEMBL9739162 0.94 MAPK14 (0.38) MAPK14TLR8TRPV1CRACR2A
SCHEMBL9737076 0.81 MAPK14 (0.43) MAPK14MAPTALDH1A1GAAHPGD
SCHEMBL9737730 0.79 TLR8 (0.35) TLR8MAPTKDM4EALDH1A1GAA
SCHEMBL9738335 0.79 MAPK14 (0.39) MAPK14MAPTALDH1A1GAAHPGD
SCHEMBL9737252 0.77 TLR8 (0.35) TLR8MAPTKDM4EALDH1A1GAA
SCHEMBL9740354 0.76 MAPK14 (0.39) MAPK14MAPTALDH1A1HPGDLMNA
SCHEMBL9738360 0.76 MAPK14 (0.41) MAPK14GAALMNA
SCHEMBL9737104 0.76 LMNA (0.40) MAPK14MAPTALDH1A1HPGDLMNA
SCHEMBL9737747 0.73 PTGES (0.36) MAPK14MAPTGAA
SCHEMBL9739327 0.72 SDHB (0.39) MAPK14KDM4EALDH1A1GAAHPGD

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