SCHEMBL7348393

SCHEMBL7348393

COC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.65
GCK P35557 3/20 0.62
CXCR2 P25025 1/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL7345966 0.90 GCK (0.72) SGMS2GCKCXCR2GAAMEN1
SCHEMBL2653573 0.87 GCK (0.55) SGMS2GCKCXCR2GAAMEN1
SCHEMBL8205171 0.83 SGMS2 (0.76) SGMS2GAAMEN1KMT2ANPC1
SCHEMBL2652506 0.82 GCK (0.81) GCKCXCR2MEN1KMT2A
SCHEMBL27613370 0.80 SGMS2 (0.65) SGMS2GCKCXCR2GAAMEN1
SCHEMBL8022247 0.80 GABRA5 (0.52) GCKCXCR2GAAMEN1KMT2A
SCHEMBL14505828 0.80 GCK (0.60) GCKCXCR2MEN1KMT2ANPC1
SCHEMBL752452 0.79 MEN1 (0.60) GCKCXCR2GAAMEN1KMT2A
SCHEMBL17551827 0.79 SGMS2 (1.00) SGMS2GAAMEN1KMT2ANPC1
SCHEMBL8827562 0.79 RAB9A (0.65) GAAMEN1KMT2ANPC1RAB9A

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