SCHEMBL20650283

SCHEMBL20650283

IN(c1ccc(-c2ccccc2)cc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GPR3 P46089 1/20 0.37
LIMK1 P53667 4/20 0.35
PARP14 Q460N5 1/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL20650287 0.91 GPR3 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL20650792 0.85 IDO1 (0.38) ALOX5GPR3LIMK1PARP14MAPT
SCHEMBL15964450 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL15964350 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL17126441 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL6372548 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL15964352 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL15964514 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL23172266 0.84 ALOX5 (0.41) ALOX5TNKSTNKS2GPR3LIMK1
SCHEMBL17126442 0.84 ALOX5 (0.41) ALOX5TNKSTNKS2GPR3LIMK1

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
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed