SCHEMBL9297727

SCHEMBL9297727

CC(=O)NCc1ncc(C(=O)CBr)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 2/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
FPR3 P25089 2/20 0.34
FPR2 P25090 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
VHL P40337 1/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9298086 0.84 HDAC6 (0.46) HDAC6MAPTALDH1A1RAB9ANPC1
SCHEMBL4664006 0.76 NPSR1 (0.44) HDAC6MAPTALDH1A1RAB9ANPC1
SCHEMBL4523132 0.75 CCNE1 (0.46) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10518624 0.72 ALDH1A1 (0.72) HDAC6MAPTALDH1A1RAB9ANPC1
SCHEMBL2487504 0.72 HCAR2 (0.60) MAPTALDH1A1RAB9ANPC1GSK3B
SCHEMBL6114196 0.72 GSK3B (0.44) ALDH1A1GSK3BKDM4EALOX15SMN1; SMN2
SCHEMBL1358436 0.71 GSK3B (0.47) HDAC6MAPTALDH1A1RAB9ANPC1
SCHEMBL9298456 0.70 NPSR1 (0.42) HDAC6MAPTALDH1A1RAB9ANPC1
SCHEMBL21332962 0.70 TSHR (0.43) MAPTALDH1A1RAB9ANPC1GSK3B
SCHEMBL6096301 0.70 NPSR1 (0.39) HDAC6MAPTALDH1A1RAB9ANPC1

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
US-5371097-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-06 US disclosed
US-5364871-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-15 US disclosed
EP-0417751-A2 New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-20 EP disclosed