SCHEMBL9324607

SCHEMBL9324607

Nc1ccc(-c2cnsn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KEAP1 Q14145 1/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP19A1 P11511 1/20 0.38
APP P05067 2/20 0.38
GMNN O75496 1/20 0.36
PKM P14618 1/20 0.36
THPO P40225 1/20 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
SCHEMBL19900526 0.89
SCHEMBL4017134 0.78 METAP2 (0.44) METAP2
SCHEMBL1019858 0.78 METAP2 (0.44) METAP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3173313 0.78 KMT2A (0.44) METAP2ALDH1A1TDP1MEN1KMT2A
SCHEMBL4559345 0.77 KMT2A (0.42) METAP2ALDH1A1CYP3A4KEAP1MEN1
SCHEMBL6953152 0.76 METAP2 (0.50) METAP2ALDH1A1TP53CYP3A4MEN1
SCHEMBL3140312 0.74
SCHEMBL3274376 0.74 TRPA1 (0.33) METAP2ALDH1A1
SCHEMBL9429579 0.69
SCHEMBL9159421 0.69 ALDH1A1 (0.53) METAP2ALDH1A1TP53CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432563-B1 4-Substituted-5-chloro-2-hydrazino thiazols BAYER AG (DE) 1994-03-09 EP disclosed
US-5068343-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0432563-A2 4-Substituted-5-chloro-2-hydrazino thiazols BAYER AG (DE) 1991-06-19 EP disclosed