SCHEMBL21606273

SCHEMBL21606273

CN1CC(=O)N(Cc2ccccc2)c2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HTT P42858 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21606311 0.88 GSK3B (0.49) KMT2AMEN1MAPTALDH1A1HDAC6
SCHEMBL25414134 0.84 POLB (0.49) PARK7ALDH1A1HDAC6HSD17B10POLB
SCHEMBL21606290 0.81 MAPT (0.51) KMT2AMEN1MAPTALDH1A1
SCHEMBL21606280 0.79 KMT2A (0.53) PARK7KMT2AMEN1HPGDMAPT
SCHEMBL23769015 0.79 KMT2A (0.50) PARK7KMT2AMEN1HPGDMAPT
SCHEMBL23768997 0.78 CASP1 (0.59) KMT2AHPGDMAPTALDH1A1HTT
SCHEMBL23768992 0.77 ALDH1A1 (0.71) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL29978848 0.77 ALDH1A1 (0.71) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL1201084 0.76 ALDH1A1 (0.59) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL10938820 0.75 HDAC6 (0.72) KMT2AMEN1MAPTALDH1A1HDAC6

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