SCHEMBL30380780

SCHEMBL30380780

CCS(=O)(=O)N(C)c1cc(C(=O)O)c(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HCAR3 P49019 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
CISD1 Q9NZ45 4/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL30380768 1.00 LMNA (0.38) LMNAHCAR3TDP1PRKAG1PRKAA1
SCHEMBL30381149 0.85 ALDH1A1 (0.45) LMNAGAAALDH1A1NPSR1TP53
SCHEMBL30381068 0.85 ALDH1A1 (0.45) LMNAGAAALDH1A1NPSR1TP53
SCHEMBL30381186 0.73 NFKB1 (0.36) LMNAALDH1A1NPSR1TP53KMT2A
Hydrochloric Acid SCHEMBL6181289 0.70 P2RX7 (0.43) TDP1PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL29066370 0.69 LMNA (0.51) LMNATDP1CISD1CA12CA1
SCHEMBL28710108 0.68 ALDH1A1 (0.41) LMNATDP1CISD1CA12CA1
SCHEMBL7683159 0.68 SMN1; SMN2 (0.46) TDP1CA1CA2ALDH1A1TP53
SCHEMBL14023609 0.68 SORT1 (0.45) LMNATDP1GABRPGABRDGABRA1
SCHEMBL30100715 0.68 SORT1 (0.45) LMNATDP1GABRPGABRDGABRA1

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-2023060173-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2023-04-13 WO disclosed