SCHEMBL16614436

SCHEMBL16614436

Nc1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ncncn3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 4/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2D6 P10635 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL21018826 0.84 SMN1; SMN2 (0.46) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL16614438 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6565672 0.80 MEN1 (0.60) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL29054490 0.78 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5572579 0.76 MAPT (0.53) MAPTSMN1; SMN2KDM4ETP53NPC1
SCHEMBL25543964 0.76 MAPT (0.65) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL28416187 0.75 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9098509 0.75 NPC1 (0.80) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9098395 0.75 NPC1 (0.80) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL21012485 0.75 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2KDM4EMEN1

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