SCHEMBL8620840

SCHEMBL8620840

CCC(C)OP(=O)(O)C(CC)Nc1c(N)cc([N+](=O)[O-])c2c(S(N)(=O)=O)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
GRM6 O15303 1/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
RECQL P46063 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 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
SCHEMBL8619766 0.94 MAPT (0.39) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8620061 0.88 MAPT (0.36) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8617963 0.87 MAPT (0.39) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8623647 0.86 CDK2 (0.34) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8621128 0.85 MAPT (0.38) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8624121 0.85 MAPT (0.37) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL8620831 0.84 CA12 (0.46) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8622828 0.82 CDK2 (0.38) KMT2AALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8616765 0.82 MAPT (0.37) MAPTKMT2AHPGDALDH1A1KDM4E
SCHEMBL8623637 0.81 MAPT (0.40) MAPTKMT2AHPGDALDH1A1KDM4E

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
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed