SCHEMBL7361149

SCHEMBL7361149

COC(=O)c1ccc(Cn2c(=O)c(=O)n(Cc3ccc(C(=O)OC)cc3)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
DCTPP1 Q9H773 1/20 0.50
CYP1A2 P05177 1/20 0.49
CFTR P13569 1/20 0.48
POLB P06746 2/20 0.48
SRC P12931 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
P2RX7 Q99572 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
AR P10275 1/20 0.44
IDO1 P14902 1/20 0.44
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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 0.87 PARG (0.47) SMN1; SMN2DCTPP1CFTRPOLBSRC
SCHEMBL7356157 0.85 SMN1; SMN2 (0.46) SMN1; SMN2DCTPP1CFTRPOLBSRC
SCHEMBL7361866 0.84 CFTR (0.48) SMN1; SMN2CFTRNOX4MEN1KMT2A
SCHEMBL7354047 0.81 CCR2 (0.47) SMN1; SMN2DCTPP1CYP1A2POLBSRC
SCHEMBL27605957 0.78 PARG (0.53) SMN1; SMN2DCTPP1CFTRPOLBSRC
SCHEMBL3184013 0.78 PPARG (0.55) SMN1; SMN2PLAU
SCHEMBL9478940 0.76 NPC1 (0.50) SMN1; SMN2DCTPP1POLBMEN1KMT2A
SCHEMBL7349906 0.76 NOX4 (0.45) CFTRNOX4MEN1KMT2ALMNA
SCHEMBL7356210 0.75 TP53 (0.52) SMN1; SMN2CYP1A2CFTRPOLBNOX4
SCHEMBL28946309 0.74 CASP3 (0.66) SMN1; SMN2POLBMEN1KMT2ALMNA

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