SCHEMBL22919920

SCHEMBL22919920

Ic1ccc2sc3cccc(-c4ccccc4)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.42
LIMK1 P53667 2/20 0.40
CHEK1 O14757 1/20 0.39
WEE1 P30291 1/20 0.39
SLC9A1 P19634 2/20 0.38
GPR3 P46089 1/20 0.35
BRDT Q58F21 1/20 0.34
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PLK4 O00444 1/20 0.32
MAPK9 P45984 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
AKT3 Q9Y243 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL20934354 0.82 GPR3 (0.43) F9LIMK1SLC9A1GPR3BRDT
SCHEMBL2474182 0.81 GPR3 (0.50) F9LIMK1SLC9A1GPR3BRDT
SCHEMBL30021871 0.81 GPR3 (0.50) F9LIMK1SLC9A1GPR3BRDT
SCHEMBL23505138 0.81 F9 (0.42) F9LIMK1CHEK1WEE1SLC9A1
SCHEMBL22045662 0.81 KDM4E (0.51) F9LIMK1CHEK1WEE1SLC9A1
SCHEMBL19841606 0.81 F9 (0.42) F9LIMK1CHEK1WEE1SLC9A1
SCHEMBL26634579 0.80 LIMK1 (0.42) F9LIMK1CHEK1WEE1SLC9A1
Bromide SCHEMBL27902456 0.80 GPR3 (0.48) F9LIMK1CHEK1WEE1SLC9A1
SCHEMBL25128011 0.79 F9 (0.40) F9LIMK1CHEK1WEE1SLC9A1
SCHEMBL24778315 0.79 KDM4E (0.49) F9LIMK1CHEK1WEE1SLC9A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3770166-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-10-06 EP disclosed
EP-3770166-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2021-01-27 EP disclosed