SCHEMBL9713612

SCHEMBL9713612

O=C1C(Cl)=CC(=O)c2c(Sc3ccccc3Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
NSD2 O96028 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PDE7A Q13946 4/20 0.41
PDE7B Q9NP56 2/20 0.41
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
BACE1 P56817 2/20 0.35
LMNA P02545 1/20 0.34
PTPRC P08575 2/20 0.33
P4HB P07237 2/20 0.32
MEN1 O00255 1/20 0.32
MAP2K7 O14733 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27593809 0.81 AURKA (0.50) KDM4EMAPTMAPK1AURKAAURKB
SCHEMBL9713755 0.80 IDO1 (0.51) KDM4EMAPTMAPK1NSD2PDE7A
SCHEMBL9713681 0.79 AURKA (0.43) KDM4EMAPTMAPK1NSD2AURKA
SCHEMBL9713463 0.76 KDM4E (0.48) KDM4EMAPTMAPK1NSD2AURKA
SCHEMBL9713604 0.76 MAPT (0.48) KDM4EMAPTMAPK1NSD2AURKA
SCHEMBL9643244 0.72 MAPT (0.49) KDM4EMAPTMAPK1NSD2PDE7A
SCHEMBL30003334 0.71 AURKA (0.53) KDM4EMAPTMAPK1NSD2AURKA
SCHEMBL9627478 0.71 AURKA (0.53) KDM4EMAPTMAPK1NSD2AURKA
SCHEMBL9628563 0.70 BACE1 (0.49) KDM4EMAPTMAPK1AURKAAURKB
SCHEMBL23271871 0.68 AURKA (0.50) KDM4EMAPTMAPK1NSD2AURKA

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
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed