SCHEMBL538827

SCHEMBL538827

COc1ccc(-c2cc3nc(-c4ccc(NC5CCC5)cc4)c(-c4ccccc4)cn3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GLA P06280 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40
ACACA Q13085 1/20 0.40
MERTK Q12866 1/20 0.40

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
SCHEMBL538092 0.92 ADORA1 (0.39) ALOX5MAPTNPC1RAB9AKDM4E
SCHEMBL538716 0.87 AKT1 (0.41) ALOX5MAPTLMNAALDH1A1L3MBTL1
SCHEMBL538707 0.85 MAP4K4 (0.42) MAPTLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL868528 0.78 AKT1 (0.62)
SCHEMBL538122 0.75 ALOX5 (0.43) ALOX5MAPTALDH1A1SMN1; SMN2ATM
SCHEMBL539284 0.74 MEN1 (0.47) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL538266 0.73 AKT1 (0.40) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL538545 0.71 AKT1 (0.38) MAPT
SCHEMBL538833 0.71 AKT1 (0.37) ALOX5ALDH1A1NPC1RAB9AMEN1
SCHEMBL538528 0.69 ADORA3 (0.40) ALOX5MAPTNPC1RAB9AMEN1

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-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP claimed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO claimed