SCHEMBL17951489

SCHEMBL17951489

O=P1(c2ccccc2)c2ccsc2-c2sccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.35
▸ CES1 P23141 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL17951779 0.90 PTPRC (0.40) PTPRCCES1PTGS2
SCHEMBL19356151 0.72 — —
SCHEMBL17951485 0.71 CES1 (0.32) CES1
SCHEMBL12433902 0.69 MEN1 (0.33) PTPRCCES1TP53ALOX15MAPK1
SCHEMBL22224669 0.69 HPGD (0.32) —
SCHEMBL20026529 0.65 MAPT (0.31) PTPRCCES1ALOX15KMT2A
SCHEMBL17951776 0.64 KDM4E (0.41) —
SCHEMBL20474619 0.64 ALOX5 (0.38) PTGS2TP53ALOX15MAPK1KMT2A
SCHEMBL19276652 0.64 ALOX5 (0.38) MAPK1KMT2A
SCHEMBL21289377 0.64 ALDH1A1 (0.30) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 — — EP disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 — — EP disclosed
Send feedback