SCHEMBL9569385

SCHEMBL9569385

O=C(CN1C(c2ccc(Cl)cc2)=CN2c3ccccc3SC12)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRM2 P08172 3/20 0.42
▸ CHRM4 P08173 3/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ CACNA1C Q13936 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD4 P21917 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ CCKBR P32239 3/20 0.37

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
SCHEMBL9569356 0.84 CACNA1C (0.39) CACNA1CDRD4TP53MAPTTHRB
SCHEMBL11011280 0.80 CACNA1C (0.35) CACNA1CDRD4BCHE
SCHEMBL30085708 0.78 HRH3 (0.37) MEN1POLBKMT2ACHRM2CHRM4
SCHEMBL9569380 0.74 GSK3B (0.34) MEN1KMT2ACACNA1CBCHE
SCHEMBL30085710 0.74 POLB (0.39) MEN1POLBKMT2ACHRM2CHRM4
SCHEMBL9569373 0.73 GSK3B (0.36) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL11012110 0.73 GSK3B (0.36) CACNA1CBCHE
SCHEMBL11005893 0.72 GSK3B (0.34) CACNA1CBCHE
SCHEMBL11008993 0.71 GSK3B (0.34) CACNA1CBCHE
SCHEMBL11008882 0.71 GSK3B (0.34) CACNA1CBCHE

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
EP-0524055-A1 Imidazo(2,1-b)benzothiazole-3-acetamide derivatives, process for their preparation and their therapeutical use SYNTHELABO (FR) 1993-01-20 — — EP disclosed
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