SCHEMBL3174165

SCHEMBL3174165

O=C(Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccc2)CC1)Oc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC27A1 Q6PCB7 4/20 0.43
▸ ALDH1A1 P00352 8/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADAM10 O14672 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ TFPI2 P48307 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4801558 0.86 NPC1 (0.50) SLC27A1ALDH1A1LMNAMAPTHTT
SCHEMBL4801430 0.77 RAB9A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL3162896 0.76 NPC1 (0.54) SLC27A1ALDH1A1LMNAMAPTHTT
SCHEMBL3171977 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL3166488 0.75 MAPT (0.51) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL3171972 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL4797943 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL3157373 0.72 POLB (0.44) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL3157099 0.70 POLB (0.47) SLC27A1ALDH1A1LMNAMAPTHTT
SCHEMBL3172493 0.69 MAPT (0.43) SLC27A1ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP claimed
JP-2007522171-A — — 2007-08-09 — — JP claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 — — EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 — — WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 — — EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 — — WO disclosed
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