SCHEMBL8189870

SCHEMBL8189870

C=CCN1C(=O)/C(=C\c2ccc(C)o2)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.67
▸ MEN1 O00255 9/20 0.67
▸ MAPT P10636 8/20 0.67
▸ ALDH1A1 P00352 7/20 0.67
▸ RECQL P46063 5/20 0.67
▸ MCL1 Q07820 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ ALOX12 P18054 2/20 0.67
▸ POLB P06746 4/20 0.65
▸ KDM4E B2RXH2 6/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ PKM P14618 3/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ MYC P01106 1/20 0.58
▸ MAX P61244 1/20 0.58
▸ HTT P42858 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL8189877 1.00 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL8189873 1.00 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3905040 0.87 MEN1 (0.68) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3905044 0.87 MEN1 (0.68) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3133705 0.86 MAPT (0.72) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3133695 0.86 MAPT (0.72) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3133698 0.86 MAPT (0.72) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL8288288 0.85 MEN1 (0.65) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3895447 0.85 MEN1 (0.65) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3895449 0.85 MEN1 (0.65) KMT2AMEN1MAPTALDH1A1RECQL

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
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 — — WO disclosed
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