SCHEMBL20041446

SCHEMBL20041446

C=C1Sc2ccccc2N1c1cc(C)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NOX1 Q9Y5S8 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 7/20 0.37
MAOA P21397 1/20 0.36
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL20041447 0.88 KMT2A (0.38) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL17059038 0.71 MAOA (0.47) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL11978698 0.69 HDAC6 (0.44) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL11816110 0.69 HDAC6 (0.42) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL13023277 0.68 MAOA (0.47) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL31316644 0.68 MAOA (0.50) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL31316643 0.68 MAOA (0.50) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL23273988 0.68 NOX1 (0.44) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL14065294 0.67 MAPT (0.62) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL20041448 0.67 GAA (0.40) KMT2AMEN1ADRA2CTP53CYP3A4

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed