SCHEMBL27972778

SCHEMBL27972778

NC(=S)Cc1cccc(C(=O)OBr)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
SLC7A5 Q01650 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FOLH1 Q04609 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL40857 0.84 LOXL2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL1198560 0.82 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL27543741 0.80 FOLH1 (0.58) KMT2AFOLH1
SCHEMBL27971856 0.78 LOXL2 (0.53) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL27962222 0.77 LOXL2 (0.47) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL28002924 0.76 CYP4F2 (0.53) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL1116172 0.75 ATM (0.46) LOXL2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL27986137 0.74 CYP4F2 (0.55) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL28813161 0.73 MEN1 (0.48) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL27944407 0.73 LOXL2 (0.44) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1

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
CN-103958487-A Benzoic acid derivatives as eif4e inhibitors HOFFMANN LA ROCHE 2014-07-30 CN disclosed