SCHEMBL14975485

SCHEMBL14975485

c1ccc(/N=C(/c2ccccc2)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
PLAU P00749 1/20 0.41
NOS1 P29475 3/20 0.40
NOS3 P29474 2/20 0.40
ESR1 P03372 1/20 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
SCHEMBL9804215 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL9804167 0.87 HTR3E (0.41) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL9804159 0.87 CYP2D6 (0.50) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL9804178 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL9804129 0.86 CYP2D6 (0.45) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8429357 0.84 KMT2A (0.48) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL9804122 0.83 HTR3E (0.41) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3080877 0.82 KMT2A (0.45) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3080879 0.82 KMT2A (0.45) KMT2AALDH1A1MEN1MAPTGAA
Hydrochloric Acid SCHEMBL3072900 0.80 KMT2A (0.44) KMT2AALDH1A1MEN1MAPTGAA

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-2013077654-A1 IRIDIUM (III) COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-05-30 WO disclosed