SCHEMBL249713

SCHEMBL249713

COc1ccc(-c2ccc(CCNC(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
GLA P06280 1/20 0.66
KMT2A Q03164 1/20 0.66
TAAR1 Q96RJ0 2/20 0.62
ALDH1A1 P00352 1/20 0.62
FPR2 P25090 1/20 0.61
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
PLAAT3 P53816 2/20 0.59
PLAAT5 Q96KN8 2/20 0.59
PLAAT2 Q9NWW9 2/20 0.59
PLAAT4 Q9UL19 2/20 0.59
PTPN1 P18031 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL4583404 0.95 SMN1; SMN2 (0.75) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL3656068 0.84 SMN1; SMN2 (0.65) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL30858767 0.83 SMN1; SMN2 (0.77) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL17919369 0.83 SMN1; SMN2 (0.77) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL10516281 0.82 SMN1; SMN2 (0.71) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL4322629 0.81 GLA (0.77) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL659053 0.81 SMN1; SMN2 (1.00) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL12773610 0.81 SMN1; SMN2 (0.75) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL5944191 0.81 SMN1; SMN2 (0.75) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL1728418 0.81 CNR1 (0.59) KMT2AGAAPLAAT5PLAAT4LMNA

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed