SCHEMBL9346871

SCHEMBL9346871

CCc1cc2c(ccc(=O)n2Cc2ccc([N+](=O)[O-])cc2)c(CC)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
SRC P12931 2/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
P2RX4 Q99571 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.41
TYMS P04818 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL7331126 0.84 KDM4E (0.42) KMT2AMEN1L3MBTL1ALDH1A1TP53
SCHEMBL9347486 0.83 PKM (0.43) KMT2AMEN1L3MBTL1P2RX4TP53
SCHEMBL7435415 0.82 KDM4E (0.40) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7274884 0.81 DCTPP1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7283343 0.81 KDM4E (0.43) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL3170012 0.78 KDM4E (0.41) KMT2AMEN1POLBNPSR1SMN1; SMN2
SCHEMBL3175415 0.77 KDM4E (0.36) KMT2ALMNA
SCHEMBL9430723 0.75 KDM4E (0.35) KMT2AMEN1SRCPRKACAPRKACG
SCHEMBL9350435 0.75 AGTR1 (0.38)
SCHEMBL7274709 0.74 PPARG (0.52)

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-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US disclosed
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed