SCHEMBL7310587

SCHEMBL7310587

CCc1nc2c(C)cc(-c3cn4c5c(sc4n3)CCCC5)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
AGTR1 P30556 6/20 0.40
AGTR2 P50052 5/20 0.40
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PPARG P37231 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC3 O15438 1/20 0.38

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
SCHEMBL7300244 0.93 AGTR1 (0.42) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL7311125 0.83 AGTR1 (0.43) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL7310237 0.81 AGTR1 (0.45) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL8847962 0.80 AGTR1 (0.62) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL7309482 0.80 AGTR1 (0.47) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL8848248 0.79 AGTR1 (0.45) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL8848262 0.78 AGTR1 (0.56) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL7311999 0.78 AGTR1 (0.50) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL683389 0.78 AGTR1 (0.49) ALDH1A1AGTR1AGTR2PPARGKDM4E
SCHEMBL7303444 0.77 AGTR1 (0.48) ALDH1A1AGTR1AGTR2PPARGKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed