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Sugi Predict / Compounds / SCHEMBL12582575

SCHEMBL12582575

SCHEMBL12582575

O=C(NCc1ccc(F)cc1)Nc1ccc2[nH]nc(C(=O)N[C@H]3CCCC4CCN4C3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ WNT1 P04628 6/20 0.44
▸ GSK3B P49841 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL1964746 0.82 CHRNA7 (0.59) DYRK1ANTRK1WNT1GSK3BMAPK1
SCHEMBL1963792 0.82 CHRNA7 (0.59) DYRK1ANTRK1WNT1GSK3BMAPK1
SCHEMBL1573038 0.79 GSK3B (0.43) DYRK1ANTRK1GSK3BMAPK1NPC1
SCHEMBL14748042 0.77 DYRK1A (0.49) DYRK1AWNT1GSK3BNPC1RAB9A
SCHEMBL8358381 0.77 DYRK1A (0.49) DYRK1AWNT1GSK3BNPC1RAB9A
SCHEMBL8357618 0.77 NPC1 (0.69) DYRK1AWNT1NPC1RAB9A
SCHEMBL14748055 0.77 NPC1 (0.69) DYRK1AWNT1NPC1RAB9A
SCHEMBL12713559 0.76 DYRK1A (0.48) DYRK1AWNT1GSK3BNPC1RAB9A
SCHEMBL12583369 0.76 DYRK1A (0.47) DYRK1AWNT1NPC1RAB9A
SCHEMBL2087202 0.76 DYRK1A (0.49) DYRK1ANTRK1WNT1GSK3BMAPK1

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-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 — — EP disclosed