SCHEMBL20013397

SCHEMBL20013397

O=C1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(O)N1Cc1nccc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ CDA P32320 1/20 0.38
▸ ADK P55263 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL20013967 0.89 DNPH1 (0.43) —
SCHEMBL21665429 0.78 MAPT (0.44) MAPTCDAADKSLC29A1
SCHEMBL20013408 0.78 MAPT (0.44) MAPTCDAADKSLC29A1
SCHEMBL24983718 0.76 CDA (0.48) MAPTCDASLC29A1
SCHEMBL23719101 0.72 SLC5A2 (0.46) MAPTCDA
SCHEMBL20013790 0.69 P2RY6 (0.51) —
SCHEMBL21665273 0.69 P2RY6 (0.51) —
SCHEMBL20013789 0.69 DNPH1 (0.44) —
SCHEMBL22933055 0.69 SMN1; SMN2 (0.41) MAPTCDAHTR1D
SCHEMBL20013543 0.67 P2RY6 (0.60) —

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
WO-2018058148-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2018-03-29 — — WO disclosed
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