SCHEMBL22136114

SCHEMBL22136114

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cc6ccccc6c6ncccc56)cc5c4sc4ccccc45)cc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
LIMK1 P53667 1/20 0.34
TOP1 P11387 6/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.33
PIK3CA P42336 1/20 0.33
CKS1B P61024 1/20 0.32
GLO1 Q04760 1/20 0.32
SKP2 Q13309 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
MPI P34949 1/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL22135977 0.95 LIMK1 (0.36) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22136069 0.95 CYP11B1 (0.35) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22136107 0.94 ALOX5 (0.35) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22136336 0.93 ALDH1A1 (0.39) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22136082 0.90 TOP1 (0.36) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL23331705 0.89 L3MBTL1 (0.37) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL23331707 0.88 LIMK1 (0.36) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22135976 0.87 ALDH1A1 (0.38) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22136045 0.87 ALDH1A1 (0.39) CYP11B1LIMK1TOP1TNKSTNKS2
SCHEMBL22136084 0.86 ALDH1A1 (0.37) CYP11B1LIMK1TOP1TNKSTNKS2

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