SCHEMBL7344448

SCHEMBL7344448

COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.58
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
TOP1 P11387 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.50
BRD4 O60885 1/20 0.49

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
SCHEMBL7343390 0.84 KMT2A (0.72) PYGLMAPTGAATSHRMAPK1
Benzene SCHEMBL7447284 0.82 ALDH1A1 (0.70) PYGLMAPTGAATSHRMAPK1
SCHEMBL7339795 0.81 SGMS2 (0.57) PYGLMAPTGAATSHRMAPK1
SCHEMBL7336189 0.81 ALDH1A1 (0.50) MAPTGAAKMT2AMEN1TP53
SCHEMBL2698562 0.81 ALDH1A1 (0.63) MAPTGAAMAPK1KMT2AMEN1
SCHEMBL5316685 0.81 HTT (0.59) PYGLMAPTGAAKMT2AMEN1
SCHEMBL2700835 0.80 ALDH1A1 (0.65) MAPTMAPK1HSD17B10KMT2AMEN1
SCHEMBL11789596 0.79 MAPT (0.58) MAPTGAATSHRMAPK1HSD17B10
SCHEMBL7338658 0.78 BRD4 (0.56) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL5233294 0.78 ALDH1A1 (0.56) PYGLMAPTGAATSHRMAPK1

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
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
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed