SCHEMBL9713334

SCHEMBL9713334

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.57
BCL2 P10415 5/20 0.57
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
PTPN1 P18031 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
S100A4 P26447 1/20 0.34
PTPRC P08575 2/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33

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 0.88 MAOA (0.55) MCL1BCL2MAOAMAOBS100A4
SCHEMBL9713712 0.84 DDAH1 (0.41) MCL1BCL2MAOAMAOBCDC25B
SCHEMBL9628309 0.82 S100A4 (0.52) MCL1BCL2S100A4PTPRCAURKA
SCHEMBL9713721 0.81 P4HB (0.44) MCL1BCL2MAOAMAOBPTPN1
SCHEMBL9713750 0.80 MAPT (0.45) MCL1BCL2MAOAMAOBS100A4
SCHEMBL9713431 0.78 BCL2 (0.54) MCL1BCL2MAOAMAOBPTPN1
SCHEMBL9713415 0.77 BCL2 (0.39) MCL1BCL2MAOAMAOBPTPN1
SCHEMBL9713724 0.73 L3MBTL1 (0.50) MCL1BCL2MAOAMAOB
SCHEMBL9713331 0.72 SLC6A4 (0.39) MCL1BCL2S100A4
SCHEMBL8773066 0.71 S100A4 (0.56) PTPN1S100A4PTPRCAURKAAURKB

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