SCHEMBL7658336

SCHEMBL7658336

CNC(=O)c1nc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 1/20 0.42
ALOX5 P09917 1/20 0.42
ADORA3 P0DMS8 4/20 0.41
GGT1 P19440 1/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7660819 0.88 KDM4E (0.53) ALDH1A1KDM4EHPGDPKMALOX5
SCHEMBL7656174 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDPKMALOX5
SCHEMBL7662862 0.86 ALOX5 (0.40) ALDH1A1KDM4EHPGDPKMALOX5
SCHEMBL7650694 0.84 KDM4E (0.37) ALDH1A1KDM4EHPGDPKMADORA3
SCHEMBL7662426 0.80 ADORA3 (0.43) ALDH1A1KDM4EHPGDADORA3ADORA1
SCHEMBL7650682 0.76 POLB (0.36) ALDH1A1KDM4EHPGDPKMADORA3
SCHEMBL7655721 0.75 ALOX5 (0.49) ALDH1A1KDM4EHPGDPKMALOX5
SCHEMBL8250528 0.74 KDM4E (0.54) ALDH1A1KDM4EHPGDPKMLMNA
SCHEMBL7651195 0.74 KDM4E (0.54) ALDH1A1KDM4EHPGDPKMLMNA
SCHEMBL2954675 0.73 FABP3 (0.40) ALDH1A1KDM4EHPGDPKMADORA3

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed