SCHEMBL8980700

SCHEMBL8980700

CC(C)Cc1nc(CC(C)C)n(Cc2ccc(-n3c(-c4nnn[nH]4)ccc3[N+](=O)[O-])cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8980653 0.92 AGTR1 (0.37) LMNA
SCHEMBL8980819 0.86 AGTR1 (0.31)
SCHEMBL8980570 0.86 LMNA (0.31) LMNAKMT2A
SCHEMBL8980760 0.86 AGTR1 (0.30)
SCHEMBL8980863 0.85 AGTR1 (0.35) LMNAKMT2AMEN1
SCHEMBL8980864 0.85 AGTR1 (0.32)
SCHEMBL8980859 0.85 AGTR1 (0.32)
SCHEMBL8980829 0.85 AGTR1 (0.30)
SCHEMBL8981244 0.84 AGTR1 (0.43) LMNA
SCHEMBL8980999 0.83 AGTR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO disclosed