SCHEMBL9564141

SCHEMBL9564141

CCOC(=O)CC[C@@H](NC(=O)c1ccc(C(C)c2c[nH]c3nc(N)nc(O)c23)cc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHFR P00374 10/20 0.45
TYMS P04818 7/20 0.45
FOLR2 P14207 1/20 0.37
FOLR1 P15328 1/20 0.37
GART P22102 1/20 0.37
ATIC P31939 1/20 0.37
SHMT1 P34896 1/20 0.37
SLC19A1 P41440 1/20 0.37
FRK P42685 1/20 0.37
SLC46A1 Q96NT5 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9564140 1.00 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564203 0.92 DHFR (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564206 0.92 DHFR (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564220 0.90 DHFR (0.43) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564221 0.90 DHFR (0.43) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564180 0.90 DHFR (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564181 0.90 DHFR (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564218 0.86 DHFR (0.43) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564214 0.86 DHFR (0.43) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9564238 0.85 DHFR (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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
EP-0549291-A1 Thymidylate synthase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed