SCHEMBL11045409

SCHEMBL11045409

CN(C)/C(=N\c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
NOS1 P29475 3/20 0.46
NOS3 P29474 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
SLC22A3 O75751 1/20 0.43
PLAU P00749 1/20 0.43
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL8773393 1.00 KMT2A (0.48) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL673513 0.83 ALDH1A1 (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11796725 0.82 NOS3 (0.50) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL11882734 0.79 KMT2A (0.41) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL11882741 0.79 KMT2A (0.41) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL14975956 0.78 KMT2A (0.49) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL14975958 0.78 KMT2A (0.49) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL15516659 0.77 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL8638472 0.77 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1HIF1A
SCHEMBL20419616 0.77 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013077654-A1 IRIDIUM (III) COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-05-30 WO disclosed
WO-2013077654-A1 IRIDIUM (III) COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-05-30 WO disclosed
US-4448975-A Process for the preparation of substituted amidines GENERAL ELECTRIC COMPANY (US) 1984-05-15 US disclosed
US-4321202-A 1-Methyl-2(alkylimino)pyrrolidines and 1-methyl 2(cycloalkylimino) pyrrolidines GENERAL ELECTRIC COMPANY (US) 1982-03-23 US disclosed