SCHEMBL9713331

SCHEMBL9713331

CCc1ccccc1Sc1ccc2c(c1)C(=O)C=C(Cl)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
BCL2 P10415 3/20 0.36
MCL1 Q07820 3/20 0.36
SOAT1 P35610 3/20 0.35
S100A4 P26447 2/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 1/20 0.32

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
SCHEMBL9713415 0.84 BCL2 (0.39) BCL2MCL1SOAT1S100A4MAPT
SCHEMBL9713644 0.79 PTPN1 (0.37) SOAT1S100A4
SCHEMBL9713573 0.75 MAOA (0.55) BCL2MCL1S100A4
SCHEMBL9642365 0.73 MAPT (0.39) BCL2MCL1CYP2C9CYP2C19CYP2D6
SCHEMBL9713724 0.73 L3MBTL1 (0.50) BCL2MCL1CYP2C9CYP2C19CYP2D6
SCHEMBL9713334 0.72 MCL1 (0.57) BCL2MCL1S100A4
SCHEMBL9713721 0.72 P4HB (0.44) BCL2MCL1L3MBTL1
SCHEMBL9713712 0.71 DDAH1 (0.41) BCL2MCL1
SCHEMBL9627363 0.71 SMN1; SMN2 (0.56) SOAT1S100A4SMN1; SMN2NPC1ALDH1A1
SCHEMBL9713584 0.71 IDO1 (0.52) BCL2MCL1S100A4HPGD

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