SCHEMBL9340437

SCHEMBL9340437

CCOC(=O)CC[C@H](NC(=O)c1cc(C(C)n2cnc3nc(NC(=O)C(C)(C)C)cc-3c2O)cs1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
DHFR P00374 3/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
KCNH2 Q12809 1/20 0.33
P2RY12 Q9H244 2/20 0.31

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
SCHEMBL9483012 1.00 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9340151 0.88 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9044038 0.84 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9045399 0.83 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9044292 0.79 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9046961 0.78 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9045652 0.77 MAPK14 (0.32) ALDH1A1
SCHEMBL9047006 0.76 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9047003 0.76 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9045199 0.74 MAPK14 (0.37) 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
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed
US-5028608-A Antineoplastic Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-07-02 US disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed