SCHEMBL9012067

SCHEMBL9012067

CNc1ccccc1CSc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
TAAR1 Q96RJ0 2/20 0.37
HTR1A P08908 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.36
FDPS P14324 1/20 0.36
AR P10275 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
GRIN2B Q13224 1/20 0.36
ADRA2A P08913 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
SCHEMBL9011939 0.86 HDAC1 (0.45) HDAC1TAAR1HTR1ASMN1; SMN2NPC1
SCHEMBL9012190 0.85 HDAC1 (0.44) HDAC1SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9012538 0.82 HDAC1 (0.42) HDAC1TAAR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL9011958 0.81 HDAC1 (0.46) HDAC1TAAR1HPGDHSD17B10BACE1
SCHEMBL9362106 0.80 HDAC1 (0.43) HDAC1SMN1; SMN2ALDH1A1HSD17B10FDPS
SCHEMBL9011970 0.80 HDAC1 (0.41) HDAC1TAAR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL4765782 0.80 HPGD (0.51) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL9361383 0.79 HDAC1 (0.42) HDAC1SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL9361359 0.79 HDAC1 (0.40) HDAC1SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9365717 0.79 HDAC1 (0.40) HDAC1SMN1; SMN2NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed