SCHEMBL31063753

SCHEMBL31063753

C(C=Cc1nc2ccccc2s1)=Cc1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ATP4A P20648 4/20 0.53
▸ ATP4B P51164 4/20 0.53
▸ SNCA P37840 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ APP P05067 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL31063734 0.92 ATP4A (0.60) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL31063740 0.91 ATP4A (0.58) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL31063864 0.83 NPC1 (0.55) RAB9ANPC1ALDH1A1ATP4AATP4B
SCHEMBL31063751 0.82 NPC1 (0.54) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31063719 0.81 MEN1 (0.55) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL31063618 0.81 SMN1; SMN2 (0.57) RAB9ANPC1ALDH1A1KDM4EATP4A
SCHEMBL26467451 0.79 MAPT (0.57) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL11776645 0.79 MAPT (0.57) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL31063724 0.79 MAPT (0.53) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL21889377 0.77 MEN1 (0.56) RAB9ANPC1ALDH1A1KDM4EPOLB

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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