SCHEMBL22046005

SCHEMBL22046005

C=C/C(=C\C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.37
AGTR1 P30556 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
WDR5 P61964 1/20 0.34

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
SCHEMBL18789928 0.88 MAPT (0.47) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL14679732 0.87 MAPT (0.35) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL12187066 0.85 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL23256716 0.84 MAPT (0.36) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL21420061 0.84 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL13699061 0.83 MAPT (0.40) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL17640447 0.81 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL22995714 0.81 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL26372302 0.80 EGFR (0.31) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL18903903 0.80 MAPT (0.40) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1

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-2020109524-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed