SCHEMBL31063756

SCHEMBL31063756

Brc1ccc2nc(C=Cc3ccc(N4CCCCC4)cc3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ APP P05067 5/20 0.49
▸ INSR P06213 1/20 0.46
▸ ATP4A P20648 4/20 0.43
▸ ATP4B P51164 4/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KAT8 Q9H7Z6 1/20 0.42
▸ SNCA P37840 1/20 0.41
▸ MAOA P21397 1/20 0.40

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
SCHEMBL31063713 0.89 LRRK2 (0.55) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL31063720 0.86 INSR (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31063730 0.86 NPC1 (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31063725 0.83 APP (0.65) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL31063734 0.83 ATP4A (0.60) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL31063740 0.81 ATP4A (0.58) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL31063864 0.79 NPC1 (0.55) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31063762 0.79 ATP4A (0.49) MAPTNPC1RAB9ASMN1; SMN2APP
SCHEMBL31063606 0.79 KAT8 (0.52) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31063751 0.78 NPC1 (0.54) MAPTNPC1RAB9AALDH1A1SMN1; 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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