SCHEMBL7535162

SCHEMBL7535162

CC(OC(=O)c1c2cc(OC(C)N(C)C)ccc2nc2cc3ccccc3cc12)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7533317 0.79 MEN1 (0.34) PLA2G2AMEN1KMT2ANPC1RAB9A
SCHEMBL7534288 0.74 PLA2G2A (0.61) PLA2G2AMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7533237 0.73 TACR3 (0.37) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL9393726 0.71 PGR (0.37) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL7533914 0.71 CYP2D6 (0.55) PLA2G2AMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7532676 0.66 KDM4E (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL65543 0.66 TSHR (0.55) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL8142880 0.65 PLA2G2A (0.54) PLA2G2AMEN1KMT2ANPC1RAB9A
SCHEMBL38661529 0.65 PLA2G2A (0.54) PLA2G2AMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7534602 0.65 CYP2C19 (0.56) MEN1KMT2AKDM4EALDH1A1HSD17B10

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-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed