SCHEMBL16614448

SCHEMBL16614448

NN(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ADRB2 P07550 1/20 0.44
LMNA P02545 1/20 0.41
CLK4 Q9HAZ1 1/20 0.40
NOTUM Q6P988 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP2A6 P11509 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
KIF11 P52732 2/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL16614445 0.90 ADRB2 (0.52) MAPTSMN1; SMN2ADRB2CLK4CYP2A6
SCHEMBL16614438 0.87 MAPT (0.46) MAPTSMN1; SMN2LMNACLK4NOTUM
SCHEMBL16614441 0.85 ADRB2 (0.44) MAPTSMN1; SMN2ADRB2CLK4CYP2A6
SCHEMBL19219066 0.84 MAPT (0.58) MAPTSMN1; SMN2ADRB2LMNACLK4
SCHEMBL16614440 0.81 CYP2A6 (0.43) MAPTSMN1; SMN2LMNANOTUMCYP19A1
SCHEMBL21012627 0.80 NOTUM (0.48) MAPTSMN1; SMN2ADRB2LMNACLK4
SCHEMBL2712784 0.79 MAPT (0.56) MAPTSMN1; SMN2ADRB2LMNACLK4
SCHEMBL16614443 0.79 NPC1 (0.45) SMN1; SMN2ADRB2LMNACLK4CYP19A1
SCHEMBL16614434 0.77 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ADRB2LMNACLK4
SCHEMBL16614446 0.76 MEN1 (0.34) MAPTSMN1; SMN2ADRB2NPC1RAB9A

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-2015046982-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed