SCHEMBL28498322

SCHEMBL28498322

CCN1Nc2cccc3cccc1c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 8/20 0.41
▸ MAPT P10636 6/20 0.41
▸ HPGD P15428 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ MPI P34949 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ HTR3A P46098 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 3/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ NSD2 O96028 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ APP P05067 1/20 0.36
▸ SNCA P37840 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
SCHEMBL28489824 0.75 KMT2A (0.55) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL11877859 0.63 KMT2A (0.47) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL21368249 0.63 KDM4E (0.55) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL17697404 0.63 GAA (0.33) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8317948 0.62 GAA (0.56) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL23758077 0.62 AKR1B1 (0.41) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL13012832 0.62 KMT2A (0.44) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL17167123 0.62 KDM4E (0.62) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL24073131 0.62 KDM4E (0.52) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL7964333 0.61 KMT2A (0.51) KMT2AALDH1A1KDM4EMAPTHPGD

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
CN-109503487-B Dihydrobenzandazole compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2020-12-22 — — CN disclosed
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