SCHEMBL7650682

SCHEMBL7650682

CNC(=O)c1nc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1NC)OC(CC(=O)O)O3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
PKM P14618 1/20 0.35
ADORA1 P30542 6/20 0.35
ADORA3 P0DMS8 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
TDP2 O95551 1/20 0.35

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
SCHEMBL7658336 0.76 ALDH1A1 (0.42) POLBKDM4EALDH1A1HPGDPKM
SCHEMBL7662862 0.73 ALOX5 (0.40) POLBKDM4EALDH1A1HPGDPKM
SCHEMBL7650694 0.71 KDM4E (0.37) POLBKDM4EALDH1A1HPGDPKM
SCHEMBL7660819 0.68 KDM4E (0.53) POLBKDM4EALDH1A1HPGDPKM
SCHEMBL7652528 0.66 EDNRA (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7656174 0.66 ALDH1A1 (0.53) KDM4EALDH1A1HPGDPKMADORA1
SCHEMBL7662426 0.65 ADORA3 (0.43) POLBKDM4EALDH1A1HPGDADORA1
SCHEMBL8250528 0.64 KDM4E (0.54) KDM4EALDH1A1HPGDPKMMEN1
SCHEMBL7655721 0.63 ALOX5 (0.49) POLBKDM4EALDH1A1HPGDPKM
SCHEMBL8250523 0.63 HSD17B10 (0.50) KDM4EALDH1A1HPGDALOX15TSHR

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