SCHEMBL19214021

SCHEMBL19214021

O=C1/C(=C2\Sc3ccc(-c4cccs4)cc3C2=O)Sc2ccc(-c3cccs3)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 1/20 0.54
▸ KCNH2 Q12809 1/20 0.45
▸ PGR P06401 2/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ HDAC1 Q13547 6/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ HDAC3 O15379 5/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ SRD5A1 P18405 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ NR4A2 P43354 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
SCHEMBL30512416 0.78 SLC6A11 (0.61) SLC6A11KCNH2PGRERN1HDAC1
SCHEMBL21580251 0.78 SLC6A11 (0.61) SLC6A11KCNH2PGRERN1HDAC1
SCHEMBL27554974 0.75 SLC6A11 (0.58) SLC6A11KCNH2PGRERN1PDK2
SCHEMBL16166554 0.73 KCNH2 (0.55) SLC6A11KCNH2PGRERN1HDAC1
SCHEMBL8218486 0.70 SLC6A11 (0.52) SLC6A11KCNH2PGRERN1HDAC1
SCHEMBL19216492 0.70 SLC6A11 (0.78) SLC6A11KCNH2PGRERN1HDAC1
SCHEMBL2562512 0.70 SLC6A11 (1.00) SLC6A11KCNH2PGR
SCHEMBL17637910 0.70 SLC6A11 (0.52) SLC6A11KCNH2PGRERN1LTA4H
SCHEMBL17049365 0.68 ERN1 (0.62) SLC6A11KCNH2PGRERN1HDAC1
SCHEMBL8980806 0.68 SLC6A11 (0.54) SLC6A11KCNH2PGRERN1HDAC1

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-3220434-A1 ORGANIC SEMICONDUCTOR ELEMENT AND COMPOUND Fujifilm Corporation (JP) 2017-09-20 — — EP disclosed
US-20170226280-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 — — US disclosed
US-20170226280-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 — — US disclosed
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