SCHEMBL9012401

SCHEMBL9012401

Nc1ccccc1CSc1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
FDPS P14324 1/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
GRIN2B Q13224 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GRIN2A Q12879 1/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MCL1 Q07820 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 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
SCHEMBL4765782 0.81 HPGD (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4767404 0.78 HPGD (0.40) HDAC1FDPSNPC1ALDH1A1RAB9A
SCHEMBL9013455 0.77 LMNA (0.41) HDAC1FDPSNPC1ALDH1A1RAB9A
SCHEMBL9012067 0.77 HDAC1 (0.46) HDAC1FDPSNPC1ALDH1A1RAB9A
SCHEMBL229404 0.76 HDAC1 (0.53) HDAC1NPC1ALDH1A1RAB9AGRIN2B
SCHEMBL9011939 0.75 HDAC1 (0.45) HDAC1FDPSNPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5155818 0.75 HDAC1 (0.52) HDAC1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9012190 0.74 HDAC1 (0.44) HDAC1FDPSNPC1ALDH1A1RAB9A
SCHEMBL8543900 0.73 TAAR1 (0.47) SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL10436025 0.73 KDM4E (0.59) HDAC1FDPSNPC1ALDH1A1RAB9A

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