SCHEMBL26850099

SCHEMBL26850099

CNc1cc(/N=N/c2ccc(C(=O)NCCC(=O)O)cc2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 5/20 0.70
NME4 O00746 3/20 0.70
GCDH Q92947 3/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM1 P11229 1/20 0.70
ADORA2A P29274 1/20 0.70
AVPR2 P30518 1/20 0.70
AGTR1 P30556 1/20 0.70
SLC6A4 P31645 1/20 0.70
AVPR1A P37288 1/20 0.70
HTR3A P46098 1/20 0.70
SLC29A1 Q99808 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
MAPK1 P28482 1/20 0.43
KCNMA1 Q12791 2/20 0.39
ADRB3 P13945 1/20 0.39
F10 P00742 2/20 0.38

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
SCHEMBL26843447 0.85 SIRT5 (0.73) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL138311 0.82 SIRT5 (1.00) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL118300 0.82 SIRT5 (1.00) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL29377041 0.82 SIRT5 (1.00) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL3267109 0.82 SIRT5 (1.00) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL7908058 0.81 SIRT5 (0.97) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL5598491 0.81 SIRT5 (0.97) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL28818120 0.81 SIRT5 (0.97) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL134019 0.81 SIRT5 (0.97) SIRT5NME4GCDHADORA3CHRM1
Balsalazide SCHEMBL133200 0.81 SIRT5 (0.95) SIRT5NME4GCDHADORA3CHRM1

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-2023230418-A1 MUTUAL PRODRUGS OF CROMOGLICIC ACID SAMDOLITE PHARMACEUTICALS LLC (US) 2023-11-30 WO disclosed