SCHEMBL23400366

SCHEMBL23400366

CCc1c(-c2ccccc2)c(O)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.38
POLB P06746 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
GAA P10253 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
SCHEMBL23398991 0.87 MAPT (0.39) GRIA2GRIA4MAPTRECQLKDM4E
SCHEMBL23398427 0.85 GRIA2 (0.44) GRIA2GRIA4MAPTALDH1A1POLB
SCHEMBL23401303 0.84 HSD11B1 (0.43) MAPTRECQLKDM4EALDH1A1GAA
SCHEMBL23399221 0.82 MAPT (0.38) MAPTRECQLKDM4EALDH1A1HPGD
SCHEMBL23399301 0.82 CASP1 (0.40) GRIA2GRIA4MAPTRECQLESR1
SCHEMBL23401106 0.81 SMN1; SMN2 (0.40) GRIA2GRIA4ESR1ESR2KDM4E
SCHEMBL23401710 0.80 NR4A3 (0.44) GRIA2GRIA4MAPTESR1ESR2
SCHEMBL23399619 0.80 NR1H3 (0.48) GRIA2GRIA4MAPTESR1KDM4E
SCHEMBL4164609 0.79 MAPT (0.49) MAPTKDM4EALDH1A1HPGDCASP1
SCHEMBL23400316 0.79 GCGR (0.39) GRIA2GRIA4RECQLESR1ESR2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed