SCHEMBL7572530

SCHEMBL7572530

O=[N+]([O-])c1ccccc1N(Cc1ccccc1)C1=COCO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SNCA P37840 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1D1 P20393 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7669953 0.83 ALDH1A1 (0.38) ARALDH1A1KMT2AMAPTSIGMAR1
SCHEMBL1552966 0.71 KMT2A (0.49) ARALDH1A1KMT2AMEN1MAPT
SCHEMBL30936706 0.71 MAPT (0.59) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL761128 0.70 TSHR (0.45) ALDH1A1LMNANPC1RAB9ATSHR
SCHEMBL4747223 0.70 TRPM8 (0.42) ALDH1A1HTTLMNANPC1RAB9A
SCHEMBL2504679 0.69 AOC3 (0.41) ALDH1A1HTTNPC1RAB9ATSHR
SCHEMBL182883 0.69 CA2 (0.35) ALDH1A1KMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL1881838 0.68 AOC3 (0.40) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL976922 0.67 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL7258846 0.67 CA2 (0.40) ALDH1A1KMT2AMEN1HTTLMNA

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
WO-2002040467-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO disclosed