SCHEMBL14101741

SCHEMBL14101741

CNc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2[N+](C)=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GSK3B P49841 1/20 0.41
GAK O14976 1/20 0.41
PRKDC P78527 1/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4719536 0.94 MAPT (0.51) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4722409 0.85 MAPT (0.53) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4722243 0.85 MAPT (0.49) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4721147 0.85 MAPT (0.49) MEN1KMT2AMAPTMAPK1TDP1
Hydrochloric Acid SCHEMBL4719619 0.84 MAPT (0.54) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4720172 0.83 MAPT (0.54) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4721264 0.82 MAPT (0.56) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4721593 0.82 MAPT (0.56) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4724283 0.82 MAPT (0.50) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL4722075 0.81 MEN1 (0.47) MEN1KMT2AMAPTMAPK1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed