SCHEMBL8569987

SCHEMBL8569987

CCCCCCCCCCCCCCCCCCSc1cc(C#N)c(C#N)cc1SCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
AR P10275 4/20 0.49
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 2/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 3/20 0.39
AURKA O14965 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL2552925 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL2557627 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL8565067 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL2550694 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL8570597 0.92 AR (0.55) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL11566809 0.82 PTGS2 (0.46) ALDH1A1LMNATHRBMAPTPTGS2
SCHEMBL11562856 0.82 PTGS2 (0.46) ALDH1A1LMNATHRBMAPTPTGS2
SCHEMBL11566892 0.82 PTGS2 (0.46) ALDH1A1LMNATHRBMAPTPTGS2
SCHEMBL5983793 0.81 PTGS2 (0.49) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL2980868 0.81 PTGS2 (0.49) TSHRHSD17B10L3MBTL1KDM4EMEN1

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-0869164-A1 Lubricant comprising sulfur-containing phtalocyanines or their metal complexes NEMATEL Dr. Rudolf Eidenschink (DE) 1998-10-07 EP disclosed