SCHEMBL7337537

SCHEMBL7337537

COC(=O)c1ccc(COc2cc(C)ccc2NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.61
PELP1 Q8IZL8 1/20 0.61
MYC P01106 4/20 0.57
MAX P61244 3/20 0.57
EP300 Q09472 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7342694 0.91 MYC (0.68) ARPELP1MYCMAXEP300
SCHEMBL7372078 0.85 AR (0.58) ARPELP1MYCMAXMAPT
SCHEMBL16392518 0.82 AR (0.71) ARPELP1MYCMAXMAPT
SCHEMBL7338638 0.81 MAPT (0.46) ARPELP1MAPTALDH1A1KMT2A
SCHEMBL7376464 0.78 MYC (0.52) ARPELP1MYCMAXEP300
SCHEMBL12068720 0.77 MYC (0.85) ARPELP1MYCMAXEP300
SCHEMBL7343440 0.77 MAPT (0.49) ARPELP1MYCMAXEP300
SCHEMBL12068709 0.76 AR (1.00) ARPELP1MYCMAXEP300
SCHEMBL7370166 0.76 CYP19A1 (0.66) MYCMAXMAPTALDH1A1KMT2A
SCHEMBL7336946 0.76 MAPT (0.55) MAPTKMT2ALMNAMEN1NPC1

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
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