SCHEMBL9028574

SCHEMBL9028574

CCCc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
AGTR1 P30556 2/20 0.57
AGTR2 P50052 2/20 0.57
TLR7 Q9NYK1 13/20 0.56
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL9028849 0.92 KMT2A (0.66) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL9043935 0.91 KMT2A (0.65) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL9029790 0.89 KMT2A (0.61) KMT2AAGTR1AGTR2TLR7MEN1
SCHEMBL8347167 0.80 AGTR2 (0.61) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL29109918 0.78 AGTR1 (0.59) KMT2AAGTR1AGTR2TLR7
SCHEMBL14423584 0.72 PDE4A (0.57) AGTR1AGTR2TLR7PDE4APDE4B
SCHEMBL2348949 0.71 PDE4A (0.85) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL6017115 0.71 PDE4A (0.56) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL4739125 0.70 GSK3B (0.51) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL18833757 0.70 MAPT (0.63) KMT2AMEN1

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
EP-0609289-B1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UPJOHN CO (US) 1996-07-17 EP disclosed
US-5442062-A Treating hypertension, congestive heart failure THE UPJOHN COMPANY (US) 1995-08-15 US disclosed
EP-0609289-A1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME. UPJOHN CO (US) 1994-08-10 EP disclosed
EP-0540209-A1 Imidazole derivatives and pharmaceutical compositions containing the same THE UPJOHN COMPANY (US) 1993-05-05 EP disclosed
WO-1993008193-A1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME THE UPJOHN COMPANY (US) 1993-04-29 WO disclosed