SCHEMBL6972803

SCHEMBL6972803

CC1(C)CC(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.69
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.47
BCHE P06276 1/20 0.45
P2RX4 Q99571 1/20 0.45
MAPT P10636 1/20 0.45
PTBP1 P26599 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL6962591 0.80 HTT (0.71) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL6964138 0.79 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL6964190 0.78 BRD4 (0.60) L3MBTL1SMN1; SMN2LMNAHTTBCHE
SCHEMBL6960672 0.72 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL6958783 0.70 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL6968459 0.69 BCHE (0.56) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL11195184 0.68 GAA (0.58) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL8675611 0.68 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL6971185 0.68 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL7355012 0.66 BCHE (0.49) L3MBTL1SMN1; SMN2LMNAMAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed