SCHEMBL9700764

SCHEMBL9700764

NOP(=O)(O)Cc1nc2ccccc2nc1CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.40
HTT P42858 2/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KEAP1 Q14145 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9005993 0.73 KDM4E (0.42) HDAC6L3MBTL1KDM4EALDH1A1
SCHEMBL9005973 0.73 BCAT2 (0.38) HDAC6L3MBTL1ALDH1A1POLBHTT
SCHEMBL7650615 0.71 HDAC6 (0.62) HDAC6L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL7450221 0.70 HDAC6 (0.65) HDAC6L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL1430605 0.69 FFAR1 (0.49) KEAP1FFAR1AKR1B1
SCHEMBL3926861 0.69 FFAR1 (0.49) KEAP1FFAR1AKR1B1
SCHEMBL9701710 0.68 NPSR1 (0.38) HDAC6POLBFFAR1
SCHEMBL233492 0.67 HPGD (0.50) HPGD
SCHEMBL28455008 0.67 HDAC6 (0.68) HDAC6L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL28449800 0.65 HDAC6 (0.64) HDAC6L3MBTL1KDM4EALDH1A1HPGD

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-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO claimed