SCHEMBL6964138

SCHEMBL6964138

CC1CC(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMYD3 Q9H7B4 3/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.45
P2RX4 Q99571 1/20 0.45
P2RY1 P47900 1/20 0.45
NR3C2 P08235 1/20 0.44

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
SCHEMBL4914150 0.85 HTT (0.59) MEN1KMT2ASMYD3ALDH1A1LMNA
SCHEMBL6962591 0.80 HTT (0.71) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6972803 0.79 L3MBTL1 (0.69) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6964190 0.78 BRD4 (0.60) L3MBTL1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL21305748 0.77 NOTUM (0.60) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL7345134 0.76 MEN1 (0.57) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6972297 0.73 ALDH1A1 (0.46) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL27322991 0.73 PTGDR2 (0.55) MEN1KMT2AP2RY1
SCHEMBL8961743 0.73 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTMAPK1
SCHEMBL6967683 0.72 P2RY1 (0.56) L3MBTL1ALDH1A1LMNAMAPTMAPK1

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