SCHEMBL5448142

SCHEMBL5448142

O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 1.00
▸ ALDH1A1 P00352 14/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ RAB9A P51151 4/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ EPHX1 P07099 2/20 1.00
▸ TDP1 Q9NUW8 4/20 0.78
▸ LMNA P02545 3/20 0.75
▸ ALOX12 P18054 1/20 0.75
▸ MAPK1 P28482 2/20 0.73
▸ KMT2A Q03164 5/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ GAA P10253 2/20 0.69
▸ HPGD P15428 3/20 0.69

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
SCHEMBL2565238 0.86 HDAC8 (0.76) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14096655 0.86 MAPT (1.00) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL5462203 0.83 MAPT (0.79) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4252909 0.81 HDAC8 (0.76) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL5448046 0.81 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3053531 0.80 MAPT (0.66) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL11154017 0.79 MAPT (0.65) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14096025 0.79 MAPT (0.73) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.79 EPHX1 (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL8616503 0.77 EPHX1 (0.83) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 — — EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 — — US disclosed
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