SCHEMBL7377697

SCHEMBL7377697

Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
MAPT P10636 4/20 0.68
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 1/20 0.67
KCNMA1 Q12791 3/20 0.66
NPC1 O15118 3/20 0.66
HTT P42858 2/20 0.65
PABPC1 P11940 1/20 0.63
DUSP3 P51452 1/20 0.63
PTPN5 P54829 1/20 0.63
PTPN11 Q06124 1/20 0.63
EIF4H Q15056 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
PDPK1 O15530 1/20 0.56
CYTH3 O43739 1/20 0.56
AKT1 P31749 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL7372653 0.89 MAPT (0.67) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6029542 0.87 KCNMA1 (0.84) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2605548 0.85 KCNMA1 (0.82) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL18585432 0.85 HTT (0.64) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL20474711 0.85 HTT (0.64) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31474751 0.84 HTT (0.71) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31499386 0.84 RAB9A (0.65) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL29721840 0.83 RAB9A (0.68) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14351618 0.83 RAB9A (0.68) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL18610467 0.82 SMN1; SMN2 (0.64) RAB9AMAPTKMT2AMEN1SMN1; SMN2

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed