SCHEMBL4347479

SCHEMBL4347479

COc1cc(Cl)c(C(=O)O)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.51
PRKAG1 P54619 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
PABPC1 P11940 1/20 0.48
SIRT6 Q8N6T7 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
LRRK2 Q5S007 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL31132848 1.00 NNMT (0.51) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL24553897 0.86 NNMT (0.51) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL5955667 0.86 PRKAG1 (0.48) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL931914 0.84 NNMT (0.50) NNMTMEN1KMT2AUSP2PABPC1
SCHEMBL29774203 0.83 NNMT (0.56) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL25360158 0.81 NNMT (0.47) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL14448315 0.80 NNMT (0.72) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL4981534 0.80 NNMT (0.53) NNMTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL28134501 0.79 NNMT (0.51) NNMTPRKAG1PRKAA1PRKAB1MEN1
Hydrochloric Acid SCHEMBL5321130 0.79 NNMT (0.70) NNMTPRKAG1PRKAA1PRKAB1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
EP-1966144-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007071358-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS NOVARTIS AG (CH) 2007-06-28 WO disclosed