SCHEMBL9011940

SCHEMBL9011940

CNc1ccccc1CSc1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
METAP2 P50579 2/20 0.38
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
AR P10275 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
KMT2A Q03164 2/20 0.34
DHODH Q02127 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6627560 0.82 KMT2A (0.45) METAP2HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL9012067 0.75 HDAC1 (0.46) HPGDALDH1A1SMN1; SMN2NPC1NFKB1
SCHEMBL9012301 0.74 LMNA (0.42) POLBHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6475635 0.73 RAB9A (0.68) POLBHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL8617542 0.70 HTR5A (0.42) POLBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL9695000 0.69 TP53 (0.71) POLBHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6481930 0.69 HPGD (0.51) HPGDALDH1A1SMN1; SMN2NPC1NFKB1
SCHEMBL9011990 0.69 AR (0.34) ARATP4AATP4B
SCHEMBL7289393 0.66
SCHEMBL11289893 0.66

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