SCHEMBL9744643

SCHEMBL9744643

O=C(NC(=S)Nc1cc(Cl)c(Sc2ccc(C(F)(F)F)cc2Cl)cc1F)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 2/20 0.46
IL2 P60568 1/20 0.45
TLR7 Q9NYK1 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
AKT1 P31749 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL9743573 0.90 MEN1 (0.54) ALDH1A1MEN1KMT2AKCNH2IL2
SCHEMBL9743731 0.83 MEN1 (0.48) ALDH1A1MEN1KMT2AIL2TLR7
SCHEMBL9743838 0.83 MEN1 (0.47) MEN1KMT2ACYP1A2IL2TLR7
SCHEMBL9744019 0.83 MEN1 (0.47) MEN1KMT2AIL2TLR7TRPV1
SCHEMBL8658884 0.82 TLR8 (0.58) ALDH1A1IL2TLR7CYP2C9CYP2C19
SCHEMBL9743981 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2AKCNH2CYP1A2
SCHEMBL8623087 0.78 MEN1 (0.49) MEN1KMT2ACYP1A2IL2TLR7
SCHEMBL9743052 0.77 TRPV1 (0.47) ALDH1A1MEN1KMT2AKCNH2SMN1; SMN2
SCHEMBL10339846 0.77 TLR8 (0.49) ALDH1A1MEN1KMT2AKCNH2CYP1A2
SCHEMBL8658881 0.77 TLR8 (0.47) IL2TLR7MAPTTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116875-A Miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-26 US disclosed