SCHEMBL23093153

SCHEMBL23093153

Cc1csc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 14/20 1.00
▸ NTRK1 P04629 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL23093037 0.89 HAO1 (1.00) HAO1NTRK1ENPP2PRKAG1PRKAA1
SCHEMBL23092915 0.86 HAO1 (1.00) HAO1NTRK1FFAR1
SCHEMBL1176676 0.80 HAO1 (0.66) HAO1ENPP2PRKAG1PRKAA1PRKAB1
SCHEMBL23107835 0.80 HAO1 (0.73) HAO1NTRK1PRKAG1PRKAA1PRKAB1
SCHEMBL23092888 0.77 HAO1 (0.66) HAO1NTRK1FFAR1PRKAG1PRKAA1
SCHEMBL1176308 0.74 HAO1 (0.57) HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL23092873 0.72 HAO1 (1.00) HAO1
SCHEMBL23093110 0.68 HAO1 (1.00) HAO1
SCHEMBL1964284 0.68 HAO1 (0.53) HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL23092914 0.67 HAO1 (0.62) HAO1

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
WO-2021050688-A1 COMPOUNDS AND USES THEREOF X-CHEM, INC. (US) 2021-03-18 — — WO disclosed
WO-2021050688-A1 COMPOUNDS AND USES THEREOF X-CHEM, INC. (US) 2021-03-18 — — WO disclosed
Send feedback