SCHEMBL9713573

SCHEMBL9713573

O=C1C=C(Cl)C(=O)c2ccc(Sc3ccc(Cl)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.55
MAOB P27338 6/20 0.55
BCL2 P10415 4/20 0.43
MCL1 Q07820 4/20 0.43
S100A4 P26447 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
CHRNA7 P36544 1/20 0.34
CTRC Q99895 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
SCHEMBL9713334 0.88 MCL1 (0.57) MAOAMAOBBCL2MCL1S100A4
SCHEMBL9713712 0.86 DDAH1 (0.41) MAOAMAOBBCL2MCL1AURKA
SCHEMBL9713721 0.84 P4HB (0.44) MAOAMAOBBCL2MCL1MEN1
SCHEMBL9713750 0.83 MAPT (0.45) MAOAMAOBBCL2MCL1S100A4
SCHEMBL9713780 0.81 IDO1 (0.50) MAOAMAOBBCL2MCL1S100A4
SCHEMBL8773066 0.81 S100A4 (0.56) S100A4AURKAAURKB
SCHEMBL9713415 0.79 BCL2 (0.39) MAOAMAOBBCL2MCL1S100A4
SCHEMBL9713724 0.79 L3MBTL1 (0.50) MAOAMAOBBCL2MCL1MEN1
SCHEMBL9713331 0.75 SLC6A4 (0.39) BCL2MCL1S100A4
SCHEMBL9629435 0.73 S100A4 (0.61) S100A4AURKAAURKB

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