SCHEMBL26843447

SCHEMBL26843447

Cc1cc(/N=N/c2ccc(C(=O)NCCC(=O)O)cc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 5/20 0.73
▸ NME4 O00746 3/20 0.73
▸ GCDH Q92947 3/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ ADORA3 P0DMS8 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ ADORA2A P29274 1/20 0.73
▸ AVPR2 P30518 1/20 0.73
▸ AGTR1 P30556 1/20 0.73
▸ SLC6A4 P31645 1/20 0.73
▸ AVPR1A P37288 1/20 0.73
▸ HTR3A P46098 1/20 0.73
▸ SLC29A1 Q99808 1/20 0.73
▸ HRH3 Q9Y5N1 1/20 0.73
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL26850099 0.85 SIRT5 (0.70) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL138311 0.85 SIRT5 (1.00) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL118300 0.85 SIRT5 (1.00) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL29377041 0.85 SIRT5 (1.00) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL3267109 0.85 SIRT5 (1.00) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL134019 0.84 SIRT5 (0.97) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL7908058 0.84 SIRT5 (0.97) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL5598491 0.84 SIRT5 (0.97) SIRT5NME4GCDHTDP1ADORA3
Balsalazide SCHEMBL28818120 0.84 SIRT5 (0.97) SIRT5NME4GCDHTDP1ADORA3
SCHEMBL14453551 0.84 SIRT5 (0.76) SIRT5NME4GCDHTDP1ADORA3

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
Send feedback