SCHEMBL7772059

SCHEMBL7772059

COC(=O)Cn1c(C)cc(Sc2ccccc2)c([N+](=O)[O-])c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 3/20 0.40
MAPT P10636 8/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7773564 0.82 KDM4E (0.47) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL7772069 0.80 KDM4E (0.45) SMN1; SMN2KDM4EMAPTALDH1A1POLB
SCHEMBL7773566 0.80 MAPT (0.44) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL7771927 0.79 KDM4E (0.44) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL7773563 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL7772045 0.77 F2 (0.44) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL7767872 0.74 KAT2B (0.46) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL7772056 0.74 PDE4B (0.41) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL7775656 0.73 MGLL (0.40) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL7775651 0.73 LPAR1 (0.40) SMN1; SMN2KDM4EMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed