SCHEMBL9050159

SCHEMBL9050159

CCOC(=O)CC[C@H](NC(=O)c1ccc(CCCc2cnc3nc(NC(=O)C(C)(C)C)nc(O)c3c2)cc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHFR P00374 4/20 0.43
GART P22102 1/20 0.41
KMT2A Q03164 2/20 0.37
POLB P06746 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
SCHEMBL9050162 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9049343 0.97 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9049346 0.97 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9215363 0.91 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9535440 0.89 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9535434 0.89 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9208126 0.88 DHFR (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9208063 0.88 DHFR (0.42) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9446029 0.88 DHFR (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9446027 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314280-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1996-02-21 EP disclosed
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed