SCHEMBL7004094

SCHEMBL7004094

O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 4/20 0.53
PTGES O14684 1/20 0.50
TTR P02766 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
AR P10275 1/20 0.46
HPSE Q9Y251 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL7008259 0.88 MEN1 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30008652 0.87 CTSV (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4126272 0.87 CTSV (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7007618 0.87 MAPT (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1455427 0.84 MAPT (0.62) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7005180 0.84 KMT2A (0.59) MEN1KMT2ANPC1RAB9AATM
SCHEMBL811068 0.84 MAPT (0.56) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7024527 0.83 MAPT (0.60) MEN1KMT2ANPC1RAB9AATM
SCHEMBL811412 0.82 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL10417341 0.81 KMT2A (0.56) MEN1KMT2ANPC1RAB9AATM

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-0978506-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-08 EP disclosed
US-6156801-A 2-phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
EP-0978506-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-09 EP disclosed