SCHEMBL7947015

SCHEMBL7947015

CCOC(=O)c1ccccc1Cn1c(=O)c(=O)n(Cc2ccccc2C(=O)OCC)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ELANE P08246 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
AR P10275 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
F2 P00734 2/20 0.43
PLAU P00749 2/20 0.43
CTRB1 P17538 2/20 0.43
LMNA P02545 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
SCHEMBL7357010 0.88 GRIK1 (0.47) ELANESMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7354860 0.86 GRIK1 (0.47) ELANESMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7354439 0.84 CYP1A2 (0.48) CYP1A2MAPTKDM4EALDH1A1GAA
SCHEMBL7474077 0.80 SERPINE1 (0.51) ELANESMN1; SMN2MAPTNOD2NOD1
SCHEMBL27583602 0.74 MAPT (0.51) SMN1; SMN2MAPTALDH1A1KMT2ANPSR1
SCHEMBL26633067 0.72 CYP1A2 (0.64) CYP1A2SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7349744 0.72 GRIK1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL6019085 0.72 NOD2 (0.50) ELANEMAPTKDM4EALDH1A1MEN1
SCHEMBL2827166 0.72 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ANPSR1
SCHEMBL7361149 0.71 SMN1; SMN2 (0.51) CYP1A2ELANESMN1; SMN2MAPTKDM4E

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 claimed
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed