SCHEMBL6578707

SCHEMBL6578707

Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ TSHR P16473 3/20 1.00
▸ NPSR1 Q6W5P4 3/20 1.00
▸ CASP1 P29466 2/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ CASP7 P55210 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ ANPEP P15144 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ HTT P42858 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL9468786 0.88 ALDH1A1 (0.78) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4781427 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8995319 0.84 CASP1 (0.86) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9566650 0.83 CASP1 (0.83) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10691705 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11866904 0.81 MEN1 (1.00) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9566662 0.80 CASP1 (0.73) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9468849 0.80 NPC1 (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9566664 0.78 NPC1 (0.65) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6581700 0.77 TSHR (0.64) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192131-B1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING ISOINDOLINE DERIVATIVES WARNER LAMBERT CO (US) 2004-08-04 — — EP disclosed
EP-1192131-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING ISOINDOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000076969-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING ISOINDOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO disclosed
Send feedback