SCHEMBL7336012

SCHEMBL7336012

CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
SGMS2 Q8NHU3 2/20 0.53
RAB9A P51151 3/20 0.53
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
PPIA P62937 3/20 0.50
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 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
SCHEMBL7773796 0.87 SGMS2 (0.60) MEN1KMT2ASGMS2RAB9ACYP1A2
SCHEMBL7999267 0.86 SGMS2 (0.58) MEN1KMT2ASGMS2RAB9ACYP1A2
SCHEMBL8318448 0.86 ALDH1A1 (0.56) MEN1KMT2ARAB9ACYP1A2KDM4E
SCHEMBL13566602 0.85 SGMS2 (0.52) MEN1KMT2ASGMS2RAB9ACYP1A2
SCHEMBL8319324 0.84 RAB9A (0.64) MEN1KMT2ARAB9ACYP1A2KDM4E
SCHEMBL7334998 0.82 ALDH1A1 (0.65) MEN1KMT2ARAB9ACYP1A2KDM4E
SCHEMBL8319629 0.82 RAB9A (0.51) MEN1KMT2ARAB9ACYP1A2KDM4E
SCHEMBL11740137 0.81 MRGPRX4 (0.57) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL3810850 0.80 SGMS2 (0.58) MEN1KMT2ASGMS2RAB9ACYP1A2
SCHEMBL8317200 0.79 RAB9A (0.54) MEN1KMT2ARAB9ACYP1A2KDM4E

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