SCHEMBL22136339

SCHEMBL22136339

c1ccc(-c2ccc(-c3cc(-c4cc(-c5nc6ccccc6c6ccccc56)cc5c4sc4ccccc45)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
NTSR1 P30989 1/20 0.37
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
ACACA Q13085 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALOX5 P09917 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
SCD O00767 1/20 0.33
LIMK1 P53667 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL22135986 0.90 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22136109 0.89 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22136068 0.88 MEN1 (0.40) MEN1KMT2AMAPTATMTNKS
SCHEMBL23730938 0.87 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22136094 0.84 ALOX5 (0.38) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL22136322 0.84 LIMK1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24427181 0.84 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23730845 0.84 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23730868 0.81 ALOX5 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22136320 0.81 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD

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-2020130553-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed