SCHEMBL7007618

SCHEMBL7007618

COCc1ccc(Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 1/20 0.48
PTGES O14684 2/20 0.46
AR P10275 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL7005180 0.88 KMT2A (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7008259 0.87 MEN1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7004094 0.87 MEN1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10417341 0.85 KMT2A (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7024527 0.84 MAPT (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL811068 0.83 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27578149 0.82 TTR (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30665870 0.81 ALDH1A1 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1733997 0.81 ALDH1A1 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1455427 0.81 MAPT (0.62) MAPTMEN1KMT2ANPC1RAB9A

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