SCHEMBL21606280

SCHEMBL21606280

CN1C(=O)N(Cc2ccccc2)c2cc(C(=O)O)ccc2N1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 2/20 0.50
PARK7 Q99497 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
POLB P06746 1/20 0.43
EP300 Q09472 1/20 0.42

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
SCHEMBL21606312 0.87 TP53 (0.47) KMT2AMEN1MAPTHDAC6ALDH1A1
SCHEMBL21606274 0.80 STING1 (0.51) KMT2AMEN1MAPTPOLB
SCHEMBL21606273 0.79 PARK7 (0.52) KMT2AMEN1HPGDMAPTPARK7
SCHEMBL23769015 0.78 KMT2A (0.50) KMT2AMEN1HPGDMAPTPARK7
SCHEMBL29256261 0.77 STING1 (0.50) KMT2AMEN1HPGDMAPTPARK7
SCHEMBL23769102 0.77 STING1 (0.50) KMT2AMEN1HPGDMAPTPARK7
SCHEMBL31411806 0.72 ELANE (0.55) KMT2AMEN1HPGDMAPTELANE
SCHEMBL23768992 0.71 ALDH1A1 (0.71) MAPTALDH1A1POLB
SCHEMBL29978848 0.71 ALDH1A1 (0.71) MAPTALDH1A1POLB
SCHEMBL20580653 0.70 MEN1 (0.55) KMT2AMEN1HPGDMAPTALDH1A1

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-2019243823-A1 AZAHETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed