SCHEMBL7373545

SCHEMBL7373545

COC(=O)c1sccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 7/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
MAPK10 P53779 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 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
SCHEMBL7370311 0.82 L3MBTL1 (0.43) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL7377084 0.77 ALDH1A1 (0.71) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL7737054 0.73 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL20545868 0.73 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL8812280 0.73 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL306161 0.73 POLB (0.81) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL7375652 0.72 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2451415 0.72 MAPT (0.50) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL7375065 0.72 CRHBP (0.52) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
Iodide SCHEMBL22235392 0.71 POLB (0.78) KMT2AMEN1ALDH1A1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed