SCHEMBL5325683

SCHEMBL5325683

Clc1ccc(-c2nc3ncc(-c4cccc(Cl)c4)cn3c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.51
AKT2 P31751 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 2/20 0.40
CNR2 P34972 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 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
SCHEMBL5342012 0.91 AKT1 (0.44) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5344598 0.91 KMT2A (0.53) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5341386 0.90 AKT1 (0.49) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5345880 0.89 PTGS2 (0.55) AKT1AKT2PTGS2
SCHEMBL5349048 0.89 AKT1 (0.48) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5322231 0.89 AKT1 (0.48) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5352678 0.88 AKT1 (0.43) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5324372 0.88 AKT1 (0.55) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5349135 0.86 SMN1; SMN2 (0.44) AKT1AKT2SMN1; SMN2RAB9AGAA
SCHEMBL5338540 0.86 AKT1 (0.46) AKT1AKT2SMN1; SMN2RAB9AGAA

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
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed