SCHEMBL6741522

SCHEMBL6741522

CN(CCO)c1ccc(-c2ccc3cccnc3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 1/20 0.39
PDE10A Q9Y233 1/20 0.38
SYK P43405 2/20 0.38
KCNH2 Q12809 1/20 0.38
AURKB Q96GD4 1/20 0.38
CYP1A2 P05177 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
SCHEMBL6741436 0.85 DGAT1 (0.41) POLBPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL484168 0.80 AR (0.47) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL12324101 0.73 POLB (0.45) POLBPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3726615 0.72 NPC1 (0.68) POLBALDH1A1MEN1CASP1CASP7
SCHEMBL29485612 0.72 NPC1 (0.68) POLBALDH1A1MEN1CASP1CASP7
SCHEMBL6602159 0.72 NCF1 (0.61) POLBCYP1A2
SCHEMBL2162632 0.69 KDM4E (0.56) POLBALDH1A1MEN1CASP1CASP7
SCHEMBL23467163 0.69 CYP11B1 (0.66) POLBPIK3CAALDH1A1MEN1CASP1
SCHEMBL440638 0.68 POLB (0.58) POLBALDH1A1MEN1KMT2AKCNH2
SCHEMBL31490354 0.68 POLB (0.58) POLBALDH1A1MEN1KMT2AKCNH2

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-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed