SCHEMBL10502575

SCHEMBL10502575

O=C1C(Sc2ccccc2)=C(Sc2ccccc2)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 3/20 0.59
HKDC1 Q2TB90 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCL2 P10415 1/20 0.49
MCL1 Q07820 1/20 0.49
PTPN1 P18031 2/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
HSP90AA1 P07900 1/20 0.41
ITGA1 P56199 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL10503560 0.89 S100A4 (0.55) S100A4HKDC1MEN1MAPTKMT2A
SCHEMBL10502055 0.81 MAPT (0.70) S100A4HKDC1MEN1MAPTKMT2A
SCHEMBL9713728 0.78 S100A4 (0.49) S100A4BCL2MCL1PTPN1CDC25A
SCHEMBL29378883 0.77 S100A4 (0.87) S100A4MEN1MAPTKMT2ANPSR1
SCHEMBL155593 0.77 S100A4 (0.87) S100A4MEN1MAPTKMT2ANPSR1
Anthraquinone SCHEMBL10531854 0.77 S100A4 (0.87) S100A4MEN1MAPTKMT2ANPSR1
SCHEMBL17250512 0.77 IDO1 (0.56) S100A4HKDC1MEN1MAPTKMT2A
SCHEMBL11041338 0.75 ADORA2A (0.57) S100A4MEN1MAPTKMT2ANPSR1
SCHEMBL30419890 0.75 S100A4 (0.91) S100A4MEN1MAPTKMT2ANPSR1
SCHEMBL301388 0.75 S100A4 (0.91) S100A4MEN1MAPTKMT2ANPSR1

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
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed