SCHEMBL9569405

SCHEMBL9569405

CN1CCN(C(=O)CN2C(c3ccccc3)=CN3c4ccccc4SC23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.43
▸ TYMS P04818 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ VDR P11473 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ CHRM2 P08172 3/20 0.40
▸ CHRM4 P08173 3/20 0.40
▸ CHRM1 P11229 3/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 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
SCHEMBL9569385 0.82 MEN1 (0.44) POLBMEN1KMT2ABCHECHRM2
SCHEMBL9569380 0.80 GSK3B (0.34) MEN1KMT2ABCHE
SCHEMBL30085710 0.75 POLB (0.39) POLBMEN1KMT2ACHRM2CHRM4
SCHEMBL9569356 0.72 CACNA1C (0.39) MAPK1BCHEMAPTTP53KDM4E
SCHEMBL30085699 0.72 HRH3 (0.39) POLBMEN1KMT2ATP53KDM1A
SCHEMBL9569373 0.72 GSK3B (0.36) MEN1KMT2ABCHEMAPTTP53
SCHEMBL9569336 0.72 BACE1 (0.36) MEN1KMT2ABCHEMAPTTP53
SCHEMBL11004064 0.71 MAOA (0.38) MAPK1MEN1KMT2ABCHECHRM3
SCHEMBL9271818 0.69 PRNP (0.31) MEN1KMT2ABCHE
SCHEMBL30085745 0.68 BRD4 (0.41) MAPTL3MBTL1

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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