SCHEMBL9012040

SCHEMBL9012040

COCC(C)(CNc1ccccc1CSc1ncc[nH]1)OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.32
GRIN2B Q13224 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GRIN2A Q12879 1/20 0.30
ADK P55263 1/20 0.30

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
SCHEMBL9011970 0.83 HDAC1 (0.41) HDAC1SMN1; SMN2GRIN2BNPC1PKM
SCHEMBL9362106 0.81 HDAC1 (0.43) HDAC1SMN1; SMN2HSD17B10
SCHEMBL9361383 0.79 HDAC1 (0.42) HDAC1SMN1; SMN2HSD17B10
SCHEMBL9011939 0.79 HDAC1 (0.45) HDAC1SMN1; SMN2GRIN2BNPC1RAB9A
SCHEMBL9012312 0.77
SCHEMBL9012067 0.76 HDAC1 (0.46) HDAC1SMN1; SMN2GRIN2BNPC1RAB9A
SCHEMBL9012538 0.76 HDAC1 (0.42) HDAC1SMN1; SMN2GRIN2BNPC1PKM
SCHEMBL9361359 0.74 HDAC1 (0.40) HDAC1SMN1; SMN2GRIN2BNPC1RAB9A
SCHEMBL9365717 0.74 HDAC1 (0.40) HDAC1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9011958 0.74 HDAC1 (0.46) HDAC1GRIN2BPKMTSHRHSD17B10

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