SCHEMBL3707609

SCHEMBL3707609

COc1nc(Cl)ccc1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
UCHL3 P15374 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.37
GRM4 Q14833 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL18979088 0.87 ALDH1A1 (0.48) MAPTMAPK1MEN1KMT2AL3MBTL1
SCHEMBL29618075 0.87 ALDH1A1 (0.48) MAPTMAPK1MEN1KMT2AL3MBTL1
SCHEMBL6561044 0.81 MAPT (0.58) MAPTMAPK1MEN1KMT2AHPGD
SCHEMBL15544886 0.80 MAPT (0.44) MAPTMAPK1L3MBTL1HPGDUCHL3
SCHEMBL3708261 0.79 KMT2A (0.37) MAPTMAPK1MEN1KMT2AHPGD
SCHEMBL3645280 0.77 ALDH1A1 (0.38) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL19002845 0.77 CRHBP (0.38) MAPTMAPK1MEN1KMT2AL3MBTL1
SCHEMBL25360169 0.76 ALDH1A1 (0.43) MAPTMAPK1MEN1KMT2AHPGD
SCHEMBL26098394 0.75 ALDH1A1 (0.37) MAPTMAPK1MEN1KMT2AL3MBTL1
SCHEMBL20918708 0.75 KDM4E (0.45) MAPTMAPK1L3MBTL1HPGDALDH1A1

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
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed