SCHEMBL6963299

SCHEMBL6963299

CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7378371 0.88 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL6969907 0.87 MEN1 (0.51) GAASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL16672740 0.77 TSHR (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7344812 0.77 MEN1 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL16529634 0.76 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL7375887 0.74 L3MBTL1 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL9414267 0.73 AVPR2 (0.40) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL6963217 0.73 KMT2A (0.64) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL6965911 0.71 TP53 (0.56) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL7654162 0.71 F10 (0.56) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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