SCHEMBL22238367

SCHEMBL22238367

C/N=C/C=N\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 1/20 0.39
HTT P42858 1/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
POLB P06746 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36

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
SCHEMBL13754812 0.89 S100B (0.52) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL242949 0.89 S100B (0.52) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL242948 0.89 S100B (0.52) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL4865610 0.86 S100B (0.50) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL5676571 0.86 S100B (0.50) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL25850101 0.75 KMT2A (0.50) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL22861519 0.75 KMT2A (0.50) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL29858016 0.75 KMT2A (0.50) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL14404845 0.75 LMNA (0.50) S100BKMT2AALDH1A1KDM4EGLA
SCHEMBL23367976 0.74 KMT2A (0.44) S100BKMT2AALDH1A1KDM4EGLA

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-3277684-B1 SPECIFIC N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORP (JP) 2020-07-22 EP disclosed