SCHEMBL16403936

SCHEMBL16403936

COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2csc(C)n2)cn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NR2E3 Q9Y5X4 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ NPC1 O15118 2/20 0.48
▸ HTT P42858 2/20 0.46
▸ ATR Q13535 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL16404158 0.88 NPC1 (0.50) ALDH1A1MAPTHSD17B10HPGDNPC1
SCHEMBL14315442 0.86 NPC1 (0.53) ALDH1A1MAPTHSD17B10GAAHPGD
SCHEMBL16404114 0.85 NPC1 (0.52) ALDH1A1MAPTLMNAHPGDNPC1
SCHEMBL16403962 0.85 NPC1 (0.49) ALDH1A1MAPTHSD17B10LMNAGAA
SCHEMBL14325740 0.83 MAPT (0.53) ALDH1A1MAPTHSD17B10LMNAHPGD
SCHEMBL16404120 0.82 NPC1 (0.63) ALDH1A1MAPTHSD17B10LMNAHPGD
SCHEMBL14325852 0.81 NPC1 (0.66) ALDH1A1MAPTHSD17B10LMNAHPGD
SCHEMBL16403952 0.81 NPC1 (0.57) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL16403950 0.79 RAB9A (0.52) ALDH1A1MAPTHSD17B10LMNAHPGD
SCHEMBL14315443 0.79 RAB9A (0.63) ALDH1A1MAPTHSD17B10LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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