SCHEMBL9011890

SCHEMBL9011890

COc1ccc(NCC(C)C)c(C[S+]([O-])c2ncc[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
TP53 P04637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 3/20 0.32
FPR2 P25090 1/20 0.31
MAPT P10636 3/20 0.31
MMP12 P39900 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
SCHEMBL9011897 0.88 NPC1 (0.33) NPC1RAB9A
SCHEMBL9329176 0.85 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9011980 0.82 ADRA1D (0.38) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL6528639 0.82 IDO1 (0.33) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9012164 0.81 RIPK1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9011960 0.79 ITK (0.30)
SCHEMBL9011951 0.78 ADRA2A (0.33) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9012474 0.77 ADRA1A (0.35) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9012236 0.77 ADRA1A (0.35) ADRA1DADRA1AADRA1BADRA2ANPC1
SCHEMBL9012424 0.76 ADRA2A (0.42) ADRA1DADRA1AADRA1BADRA2AADRA2C

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 7 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
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 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