SCHEMBL31063965

SCHEMBL31063965

Cc1cccc2sc(C=Cc3ccc(N4CCCCC4)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.52
▸ MAPT P10636 6/20 0.43
▸ ACHE P22303 3/20 0.42
▸ ATP4A P20648 3/20 0.41
▸ ATP4B P51164 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ GRIN2B Q13224 2/20 0.39

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
SCHEMBL31063750 0.86 SMN1; SMN2 (0.57) SNCAMAPTATP4AATP4BSMN1; SMN2
SCHEMBL31063692 0.85 SNCA (0.47) SNCAMAPTATP4AATP4BSMN1; SMN2
SCHEMBL31063760 0.81 SNCA (0.46) SNCAMAPTACHEATP4AATP4B
SCHEMBL31063734 0.80 ATP4A (0.60) SNCAMAPTATP4AATP4BSMN1; SMN2
SCHEMBL31063740 0.79 ATP4A (0.58) SNCAMAPTATP4AATP4BSMN1; SMN2
SCHEMBL31063720 0.76 INSR (0.49) SNCAMAPTACHEATP4AATP4B
SCHEMBL31063762 0.76 ATP4A (0.49) SNCAMAPTACHEATP4AATP4B
SCHEMBL31063753 0.73 RAB9A (0.53) SNCAMAPTATP4AATP4BSMN1; SMN2
SCHEMBL31063730 0.71 NPC1 (0.57) SNCAMAPTATP4AATP4BSMN1; SMN2
SCHEMBL31063756 0.71 MAPT (0.55) SNCAMAPTATP4AATP4BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024200263-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS α-SYNUCLEIN BINDING COMPOUNDS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-10-03 — — WO disclosed
EP-4438597-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS A-SYNUCLEIN BINDING COMPOUNDS Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2024-10-02 — — EP disclosed
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