SCHEMBL9044530

SCHEMBL9044530

CCCCc1nc2cccnc2n1Cc1ccc(-n2cccc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51
ENPP2 Q13822 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 4/20 0.44
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9042107 0.86 AGTR1 (0.49) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL9043343 0.84 AGTR1 (0.50) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL9121774 0.84 AGTR1 (0.57) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL9042554 0.82 MAPT (0.45) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL9043017 0.81 AGTR1 (0.50) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL7628776 0.81 AGTR1 (0.40) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL7628758 0.81 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9040353 0.80 AGTR1 (0.47) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL9040254 0.78 AGTR1 (0.53) AGTR1AGTR2ENPP2ALDH1A1MEN1
SCHEMBL8326844 0.78 AGTR1 (0.60) AGTR1AGTR2ENPP2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed