SCHEMBL11325205

SCHEMBL11325205

O=C=Nc1ccc(OC(F)(F)Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPAS1 Q99814 1/20 0.32
ABL1 P00519 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL11533414 0.89 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPK1ALDH1A1
SCHEMBL11325113 0.86 CYP3A4 (0.40) CYP3A4TSHRTDP1MAPK1ALDH1A1
SCHEMBL180952 0.85 TSHR (0.45) CYP3A4TSHRTDP1MAPK1ALDH1A1
SCHEMBL9859153 0.83 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPK1TRPA1
SCHEMBL11686470 0.81 TSHR (0.39) CYP3A4TSHRTDP1MAPK1ALDH1A1
SCHEMBL8136787 0.80 TSHR (0.41) CYP3A4TSHRTDP1MAPK1ALDH1A1
SCHEMBL7357034 0.80 KIF11 (0.45) CYP3A4TSHRMAPTNOS3NOS1
SCHEMBL11531903 0.80 MAPK1 (0.40) CYP3A4TSHRTDP1MAPK1TRPA1
SCHEMBL10960028 0.80 TSHR (0.38) CYP3A4TSHRTDP1MAPK1ALDH1A1
SCHEMBL10720388 0.79 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPK1TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007541-B1 SUBSTITUTED 5-PHENYLCARBAMOYL-BARBITURIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1981-09-09 EP disclosed
US-4239762-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
EP-0007541-A1 Substituted 5-phenylcarbamoyl-barbituric acids, process for their preparation and their use as insecticides BAYER AG (DE) 1980-02-06 EP disclosed
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed