SCHEMBL13680773

SCHEMBL13680773

CC(N)c1nsc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EPAS1 Q99814 9/20 0.41
MMP9 P14780 2/20 0.38
SORD Q00796 1/20 0.35
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4546569 0.84 KDM4E (0.50) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL21346283 0.81 KDM4E (0.47) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL8345923 0.81 MAPT (0.47) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL7458233 0.81 MAPT (0.47) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL2971911 0.78 MAPT (0.48) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL20072401 0.78 MAPT (0.44) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL2976861 0.77 MAPT (0.47) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL8119056 0.72 MMP9 (0.43) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL24983709 0.70 MAPT (0.41) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL12755493 0.70 MMP9 (0.41) KDM4EMAPTALDH1A1HSD17B10MMP9

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed