SCHEMBL8190456

SCHEMBL8190456

Cc1ccc(C=C2SC(=S)N(C)C2=O)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ POLB P06746 5/20 0.66
▸ LMNA P02545 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ MEN1 O00255 7/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ RECQL P46063 4/20 0.62
▸ MCL1 Q07820 2/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ TDP1 Q9NUW8 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ CISD1 Q9NZ45 4/20 0.56
▸ MAOB P27338 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ALPL P05186 1/20 0.56
▸ ALPI P09923 1/20 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
SCHEMBL8191326 1.00 MAPT (0.66) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL8190455 1.00 MAPT (0.66) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL20714251 0.87 ALDH1A1 (0.80) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3893472 0.85 ALDH1A1 (0.66) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3893467 0.85 ALDH1A1 (0.66) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL46546 0.85 MAPT (0.57) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3133695 0.82 MAPT (0.72) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3133705 0.82 MAPT (0.72) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3133698 0.82 MAPT (0.72) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL8197957 0.81 ALDH1A1 (0.60) MAPTALDH1A1POLBLMNARAB9A

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
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 claimed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 — — WO disclosed
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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