SCHEMBL17697018

SCHEMBL17697018

C/N=C(/c1ccccc1)c1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 2/20 0.45
GFER P55789 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CFTR P13569 1/20 0.41
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL1339688 0.82 GFER (0.64) MAPTGAAKMT2AGFERSMN1; SMN2
SCHEMBL1339690 0.82 GFER (0.64) MAPTGAAKMT2AGFERSMN1; SMN2
SCHEMBL9853483 0.82 MAPT (0.53) MAPTGAAKMT2AGFERSMN1; SMN2
SCHEMBL11070779 0.79 GAA (0.47) MAPTGAAKMT2AGFERSMN1; SMN2
SCHEMBL862271 0.78 ALDH1A1 (0.45) MAPTKMT2AGFERSMN1; SMN2ALDH1A1
SCHEMBL14045950 0.76 ALDH1A1 (0.56) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9062618 0.74 CYP3A4 (0.48) MAPTGAAKMT2AGFERSMN1; SMN2
SCHEMBL17468846 0.74 GRIN2B (0.53) MAPTGAAKMT2AGFERSMN1; SMN2
SCHEMBL13475307 0.73 CES2 (0.41) GAAKMT2AGFERSMN1; SMN2ALDH1A1
SCHEMBL16712823 0.72 ALDH1A1 (0.45) MAPTGAASMN1; SMN2ALDH1A1HSD17B10

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-2016060516-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-21 WO disclosed