SCHEMBL5495441

SCHEMBL5495441

CC[C]c1sc(NC(=O)c2cc(Br)ccc2O)nc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.38
SORT1 Q99523 1/20 0.36
PLAU P00749 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLAT P00750 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLTP P55058 2/20 0.36

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
SCHEMBL330267 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KMT2AHPGDHTT
SCHEMBL330526 0.81 TMPRSS4 (0.42) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL331811 0.80 MAPT (0.38) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL331528 0.78 MAPT (0.39) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL330479 0.70 RAB9A (0.67) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL330465 0.70 TMPRSS4 (0.42) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL330259 0.70 KMT2A (0.60) MAPTSMN1; SMN2KMT2AHPGDHTT
SCHEMBL330478 0.69 TMPRSS4 (0.43) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL330283 0.69 GPER1 (0.44) MAPTSMN1; SMN2TMPRSS4GAAKMT2A
SCHEMBL330992 0.68 XIAP (0.56) MAPTSMN1; SMN2KMT2AHPGDKDM4E

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
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed