SCHEMBL7339795

SCHEMBL7339795

COC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.57
GAA P10253 3/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
BRD4 O60885 2/20 0.55
PYGL P06737 1/20 0.54
TP53 P04637 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL5233294 0.83 ALDH1A1 (0.56) GAAMAPTTSHRMAPK1HSD17B10
SCHEMBL8205171 0.82 SGMS2 (0.76) SGMS2GAAMAPTMEN1KMT2A
SCHEMBL7344448 0.81 PYGL (0.58) GAAMAPTTSHRMAPK1HSD17B10
SCHEMBL11959272 0.81 BRD4 (0.54) SMPD1HDAC1HDAC8HDAC6MEN1
Benzene SCHEMBL7447284 0.81 ALDH1A1 (0.70) GAAMAPTTSHRMAPK1HSD17B10
SCHEMBL11959268 0.81 BRD4 (0.76) MEN1KMT2ABRD4KDM4EHPGD
SCHEMBL7338658 0.81 BRD4 (0.56) SGMS2GAAMAPTTDP1L3MBTL1
SCHEMBL2188210 0.81 SMPD1 (0.76) MAPTSMPD1HDAC1HDAC8HDAC6
SCHEMBL2063068 0.81 SMN1; SMN2 (0.73) MAPTSMPD1HDAC1HDAC8HDAC6
SCHEMBL7343390 0.80 KMT2A (0.72) GAAMAPTTSHRMAPK1HSD17B10

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 7 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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
CN-1192729-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 CN disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed