SCHEMBL29535871

SCHEMBL29535871

CCOc1ccc(N)c(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
AGPAT2 O15120 8/20 0.45
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
CRHR1 P34998 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
KDR P35968 1/20 0.40
TP53 P04637 1/20 0.40
TNF P01375 1/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL22719071 1.00 POLB (0.51) POLBAGPAT2NR1I2AHRHPGD
SCHEMBL13730480 0.85 RPS27 (0.46) POLBAGPAT2KDM4EPIK3CAMTOR
SCHEMBL24814667 0.79 POLB (0.57) POLBAGPAT2NR1I2AHRHPGD
SCHEMBL29535900 0.78 MAOA (0.51) POLBAGPAT2NFKB1MAPTNPC1
SCHEMBL22719062 0.78 MAOA (0.51) POLBAGPAT2NFKB1MAPTNPC1
SCHEMBL7833949 0.77 ALDH1A1 (0.38) POLBHPGDKDM4EPIK3CAMTOR
SCHEMBL11803401 0.73 KDM4E (0.41) POLBHPGDKDM4ENFKB1PIK3CA
SCHEMBL6797215 0.72 MAPK8 (0.51) POLBKDM4EMAPTHTTRAB9A
SCHEMBL2195003 0.72 EGFR (0.43) HPGDTP53MAPTNPC1HTT
SCHEMBL2193858 0.70 SMN1; SMN2 (0.44) POLBHPGDTP53MAPTNPC1

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
EP-3976611-A1 HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER Les Laboratoires Servier (FR) 2022-04-06 EP disclosed