SCHEMBL17864158

SCHEMBL17864158

c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6ccc7c8ccccc8ccc7c6c54)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HPGD P15428 6/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 1/20 0.36
NTSR1 P30989 1/20 0.35
CYP1A2 P05177 2/20 0.33
MAOA P21397 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL17864168 0.97 ALDH1A1 (0.36) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17864152 0.93 MEN1 (0.39) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17864182 0.92 KDM4E (0.36) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17864171 0.91 KDM4E (0.33) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL23763293 0.90 MEN1 (0.40) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17864149 0.90 MEN1 (0.40) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17071282 0.89 HPGD (0.36) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL19036993 0.89 MEN1 (0.41) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17071192 0.88 HPGD (0.37) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL18667582 0.87 MEN1 (0.38) MEN1KMT2AHPGDMAPTALDH1A1

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed