SCHEMBL10428645

SCHEMBL10428645

Cc1cc2nnn(C(=O)O)c2cc1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.67
MGAM O43451 12/20 0.67
AMY1A P0DUB6 12/20 0.67
SI P14410 12/20 0.67
MGAM2 Q2M2H8 12/20 0.67
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HCAR3 P49019 4/20 0.40
KCNMA1 Q12791 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 2/20 0.38
HPGD P15428 2/20 0.38
SLC9A1 P19634 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL19911450 0.85 GAA (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL10428732 0.84 MGAM (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL19911449 0.80 MGAM (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL13875222 0.74 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL11358595 0.74 GAA (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL6819471 0.74 MGAM (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL11357912 0.73 MGAM (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL7646751 0.73 GAA (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL3278603 0.72 MGAM (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL7232454 0.71 HCAR3 (0.53) GAAMGAMAMY1ASIMGAM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4942248-A CARBAMYLATION OF AMINO ACIDS BY REACTION WITH TERT-ALKYL ESTER A OF 1H-BENZOTRIAZOLE-1-CARBOXYLIC ACID TO FOR BLOCKED AMINO GROUP PPG INDUSTRIES, INC. (US) 1990-07-17 US claimed
US-20090087989-A1 POLISHING LIQUID AND POLISHING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087989-A1 POLISHING LIQUID AND POLISHING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-4942248-A CARBAMYLATION OF AMINO ACIDS BY REACTION WITH TERT-ALKYL ESTER A OF 1H-BENZOTRIAZOLE-1-CARBOXYLIC ACID TO FOR BLOCKED AMINO GROUP PPG INDUSTRIES, INC. (US) 1990-07-17 US disclosed