SCHEMBL13453016

SCHEMBL13453016

Cc1ccc(C(O)(S)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ KIF11 P52732 7/20 0.44
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL18639442 0.85 CYP1A2 (0.44) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL2862802 0.81 MEN1 (0.50) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL11475050 0.81 CYP19A1 (0.57) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL7768882 0.81 MEN1 (0.50) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL813126 0.81 CYP19A1 (0.57) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL18174964 0.81 TSHR (0.48) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL4457147 0.79 MEN1 (0.50) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL23373143 0.77 MEN1 (0.47) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL18537130 0.77 MEN1 (0.47) MEN1KMT2AKIF11TSHRLMNA
SCHEMBL28278170 0.77 MEN1 (0.47) MEN1KMT2AKIF11TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166588-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 — — EP disclosed
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