SCHEMBL8768828

SCHEMBL8768828

Cc1cc(=O)n(CO)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.34
KMT2A Q03164 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
SCHEMBL4771370 0.82 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1POLBGAAKMT2A
SCHEMBL4618373 0.79 KDM4E (0.46) SMN1; SMN2ALDH1A1POLB
SCHEMBL4467734 0.78 TSHR (0.43) SMN1; SMN2ALDH1A1
SCHEMBL4767676 0.77 B3GNT2 (0.43) SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6243233 0.76 KMT2A (0.55) SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL1702032 0.76 TSHR (0.55) ALDH1A1GAAKMT2A
SCHEMBL126983 0.76 KMT2A (0.44) SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL14592881 0.74 DAO (0.41) SMN1; SMN2ALDH1A1GAA
SCHEMBL7832602 0.74 ADRA1D (0.42) SMN1; SMN2
SCHEMBL7403411 0.73 ALOX15 (0.45) SMN1; SMN2ALDH1A1POLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed