SCHEMBL9048520

SCHEMBL9048520

Cc1ccc(CCn2cnc3nc(C)c(OC(=O)C(C)(C)C)c-3c2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9045154 0.92 MAPT (0.33) MAPTTSHRHTTNPSR1KMT2A
SCHEMBL9046199 0.92 ELANE (0.36) MAPTTSHRHTTNPSR1KMT2A
SCHEMBL9345121 0.92 CNOT7 (0.35) HTTKMT2AELANEPKMLMNA
SCHEMBL9341477 0.90 YTHDC1 (0.38) ALOX15TP53GAALMNA
SCHEMBL9776056 0.84 NPC1 (0.31) MAPTKMT2AGAAPKM
SCHEMBL9045926 0.79 YTHDC1 (0.45) ALOX15TP53LMNA
SCHEMBL9776223 0.78 MAPT (0.38) MAPTTSHRNPSR1KMT2AGAA
SCHEMBL9776028 0.77 KMT2A (0.39) TSHRHTTKMT2AL3MBTL1
SCHEMBL9776047 0.77 NPC1 (0.37) MAPTTSHRNPSR1KMT2ATP53
SCHEMBL9776194 0.76 NPC1 (0.38) MAPTHTTKMT2ATP53L3MBTL1

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-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 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