SCHEMBL7356157

SCHEMBL7356157

COC(=O)c1ccc(Cn2c(=O)c(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
DCTPP1 Q9H773 1/20 0.46
CFTR P13569 1/20 0.44
PGR P06401 2/20 0.44
POLB P06746 1/20 0.43
SRC P12931 2/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
P2RX7 Q99572 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PARG Q86W56 1/20 0.41
MAPT P10636 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL7352546 0.92 PARG (0.47) SMN1; SMN2DCTPP1CFTRPOLBSRC
SCHEMBL7353213 0.89 PGR (0.46) CFTRPGRNOX4P2RX7MEN1
SCHEMBL7352784 0.87 PGR (0.49) PGRPOLBSRCPRKACAPRKACG
SCHEMBL7361149 0.85 SMN1; SMN2 (0.51) SMN1; SMN2DCTPP1CFTRPOLBSRC
SCHEMBL7349906 0.81 NOX4 (0.45) CFTRNOX4MEN1KMT2AALDH1A1
SCHEMBL7357440 0.81 PGR (0.47) PGRSRCPRKACAPRKACGPRKACB
SCHEMBL30581508 0.81 CFTR (0.52) SMN1; SMN2CFTRMEN1KMT2AALDH1A1
SCHEMBL28691251 0.81 CFTR (0.52) SMN1; SMN2CFTRMEN1KMT2AALDH1A1
SCHEMBL9556876 0.80 PGR (0.50) CFTRPGRSRCPRKACAPRKACG
SCHEMBL7352345 0.79 CCR2 (0.46) POLBSRCPRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed