SCHEMBL9713780

SCHEMBL9713780

COC1=CC(=O)c2cc(Sc3ccc(Cl)cc3)ccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
TDP2 O95551 2/20 0.46
NSD2 O96028 2/20 0.46
BCL2 P10415 4/20 0.42
MCL1 Q07820 4/20 0.42
PTPN1 P18031 1/20 0.40
GAPDH P04406 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9713431 0.86 BCL2 (0.54) IDO1CDC25ACDC25BMAOAMAOB
SCHEMBL9628282 0.84 IDO1 (0.61) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL30003034 0.84 IDO1 (0.61) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9713584 0.82 IDO1 (0.52) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9713573 0.81 MAOA (0.55) MAOAMAOBBCL2MCL1S100A4
SCHEMBL9713488 0.81 IDO1 (0.57) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9643160 0.80 MAOA (0.58) IDO1CDC25ACDC25BMAOAMAOB
SCHEMBL9713721 0.78 P4HB (0.44) IDO1MAOAMAOBNSD2BCL2
SCHEMBL7807732 0.77 IDO1 (0.61) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9713793 0.77 CDC25B (0.53) IDO1CDC25ACDC25BMAOAMAOB

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