SCHEMBL9713712

SCHEMBL9713712

O=C1C=C(Cl)C(=O)c2ccc(Sc3ccncc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
BCL2 P10415 4/20 0.40
MCL1 Q07820 4/20 0.40
PDE7A Q13946 3/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE7B Q9NP56 2/20 0.34
CDC25B P30305 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGS2 P35354 1/20 0.32
TYMS P04818 1/20 0.30

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
SCHEMBL9713573 0.86 MAOA (0.55) MAOAMAOBBCL2MCL1AURKA
SCHEMBL9713334 0.84 MCL1 (0.57) MAOAMAOBBCL2MCL1CDC25B
SCHEMBL9713721 0.80 P4HB (0.44) MAOAMAOBBCL2MCL1PTGS2
SCHEMBL9713750 0.79 MAPT (0.45) MAOAMAOBBCL2MCL1PDE7A
SCHEMBL9713724 0.78 L3MBTL1 (0.50) MAOAMAOBBCL2MCL1PDE7A
SCHEMBL9713415 0.75 BCL2 (0.39) MAOAMAOBBCL2MCL1PDE7A
SCHEMBL9714218 0.72 NPC1 (0.36) BCL2MCL1
SCHEMBL9713331 0.71 SLC6A4 (0.39) BCL2MCL1
SCHEMBL8773066 0.70 S100A4 (0.56) AURKAAURKB
SCHEMBL9713780 0.69 IDO1 (0.50) MAOAMAOBBCL2MCL1CDC25B

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