SCHEMBL9836207

SCHEMBL9836207

CCOC(=O)CC[C@H](NC(=O)c1ccc(NCC2CNc3nc(NC(C)=O)[nH]c(=O)c3C2)cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.44
ATIC P31939 1/20 0.41
SOST Q9BQB4 1/20 0.41
FPGS Q05932 2/20 0.40
DHFR P00374 3/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTHFD1 P11586 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
SCHEMBL10519237 1.00 GART (0.44) GARTATICSOSTFPGSDHFR
SCHEMBL10512971 0.89 GART (0.58) GARTATICDHFRKDM4EALDH1A1
SCHEMBL9836773 0.87 GART (0.43) GARTATICDHFRKDM4EALDH1A1
SCHEMBL9837156 0.86 GART (0.59) GARTATICSOSTFPGSDHFR
SCHEMBL9836685 0.81 GART (0.42) GARTATICDHFRKDM4EALDH1A1
SCHEMBL9837146 0.80 GART (0.41) GARTATICDHFRKDM4EALDH1A1
SCHEMBL9534086 0.75 GART (0.49) GARTATICDHFRKDM4EALDH1A1
SCHEMBL9534079 0.75 GART (0.49) GARTATICDHFRKDM4EALDH1A1
SCHEMBL10494144 0.74 KDM4E (0.40) GARTATICDHFRKDM4EALDH1A1
SCHEMBL10494147 0.74 KDM4E (0.40) GARTATICDHFRKDM4EALDH1A1

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
EP-0255228-B1 4(3H)-OXO-5,6,7,8,-TETRAHYDROPYRIDO-(2,3-D)PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-05-02 EP disclosed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US disclosed