SCHEMBL9012048

SCHEMBL9012048

Nc1ccccc1CSc1nc2c([nH]1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.51
LMNA P02545 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MMP13 P45452 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9012427 0.81 HPGD (0.51) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL6481930 0.81 HPGD (0.51) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL9012520 0.76 HPGD (0.47) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL6480868 0.71 NPC1 (0.69) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL9012381 0.71 CHRNE (0.33)
Bromide SCHEMBL10768702 0.70 NPC1 (0.68) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL6475945 0.67 ATP4A (0.56) HPGDLMNATSHRMAPTCYP1A2
SCHEMBL6483508 0.67 ATP4A (0.56) HPGDLMNAKMT2AMAPTNPC1
SCHEMBL6475988 0.66 HPGD (0.50) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL6475390 0.66 RAB9A (0.50) HPGDLMNAMEN1KMT2AMAPK1

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