SCHEMBL16614438

SCHEMBL16614438

NN(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ncncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.39
AAK1 Q2M2I8 1/20 0.36
MAP4K4 O95819 2/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
NOTUM Q6P988 1/20 0.34
KIF11 P52732 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL16614446 0.91 MEN1 (0.34) MAPTSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL16614441 0.87 ADRB2 (0.44) MAPTSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL16614448 0.87 MAPT (0.47) MAPTSMN1; SMN2LMNAAAK1PDGFRB
SCHEMBL16614436 0.81 MAPT (0.46) MAPTSMN1; SMN2LMNAAAK1MAP4K4
SCHEMBL5572579 0.80 MAPT (0.53) MAPTSMN1; SMN2LMNAPDGFRBPDGFRA
SCHEMBL21018826 0.78 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAKIF11NPC1
SCHEMBL16614445 0.77 ADRB2 (0.52) MAPTSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL18327351 0.75 MAPT (0.48) MAPTSMN1; SMN2LMNAAAK1MAP4K4
SCHEMBL1421973 0.73 NPC1 (0.40) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL18327347 0.72 MAPT (0.50) MAPTSMN1; SMN2LMNAAAK1MAP4K4

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