SCHEMBL9471289

SCHEMBL9471289

COC(=O)CC[C@H](NC(=O)c1ccc(C#Cn2cnc3nc(C)cc-3c2O)cc1)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.37
▸ TAS1R3 Q7RTX0 11/20 0.36
▸ TAS1R1 Q7RTX1 11/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33

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
SCHEMBL9044170 0.87 CYP26A1 (0.36) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9047678 0.87 MAPK14 (0.34) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9471199 0.81 TAS1R3 (0.41) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9045884 0.80 MAPK14 (0.31) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9776186 0.79 L3MBTL1 (0.32) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9471023 0.79 KMT2A (0.43) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL9044092 0.77 MAPK14 (0.32) MAPK14ALDH1A1MAPK1
SCHEMBL9045359 0.77 MAPK14 (0.36) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9471659 0.74 TAS1R3 (0.40) MAPK14TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL9471269 0.74 APP (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA

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
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 — — US disclosed
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