SCHEMBL9713463

SCHEMBL9713463

O=C1C(Cl)=CC(=O)c2c(Sc3cccc(Cl)c3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NSD2 O96028 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RHEB Q15382 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
DHFR P00374 1/20 0.39
PDE7A Q13946 2/20 0.36
IDO1 P14902 1/20 0.36
SLC6A9 P48067 3/20 0.34
ADORA2A P29274 1/20 0.34
PDE7B Q9NP56 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9714090 0.83 IDO1 (0.44) KDM4ENSD2MAPTMAPK1RHEB
SCHEMBL9713604 0.81 MAPT (0.48) KDM4ENSD2MAPTMAPK1RHEB
SCHEMBL9713681 0.78 AURKA (0.43) KDM4ENSD2MAPTMAPK1AURKA
SCHEMBL9641655 0.77 KDM4E (0.50) KDM4ENSD2MAPTMAPK1RHEB
SCHEMBL9713612 0.76 KDM4E (0.42) KDM4ENSD2MAPTMAPK1AURKA
SCHEMBL30003334 0.70 AURKA (0.53) KDM4ENSD2MAPTMAPK1AURKA
SCHEMBL9627478 0.70 AURKA (0.53) KDM4ENSD2MAPTMAPK1AURKA
SCHEMBL9713415 0.68 BCL2 (0.39) KDM4ENSD2MAPTMAPK1AURKA
SCHEMBL23271871 0.67 AURKA (0.50) KDM4ENSD2MAPTMAPK1AURKA
SCHEMBL30004050 0.67 AURKA (0.74) KDM4EMAPTMAPK1AURKAAURKB

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