SCHEMBL7344812

SCHEMBL7344812

CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SGMS2 Q8NHU3 2/20 0.56
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.49
PPIA P62937 1/20 0.48

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
SCHEMBL7773829 0.88 MEN1 (0.64) MEN1KMT2AALDH1A1GAASGMS2
SCHEMBL753131 0.80 MAPT (0.60) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL10737968 0.79 MEN1 (0.57) MEN1KMT2AMAPT
SCHEMBL7378371 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL751204 0.78 MAPT (0.69) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6963299 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL2682298 0.77 CTSV (0.49) MEN1KMT2AALDH1A1SMN1; SMN2CTSV
SCHEMBL26604900 0.76 MEN1 (0.52) MEN1KMT2AMAPT
SCHEMBL340937 0.76 HTT (0.69) MEN1KMT2AALDH1A1SMN1; SMN2SGMS2
SCHEMBL13566609 0.75 SGMS2 (0.69) MEN1KMT2AALDH1A1GAASMN1; SMN2

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed