SCHEMBL22137014

SCHEMBL22137014

Nc1cccc2c1sc1cccc(-c3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 6/20 0.55
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
F9 P00740 1/20 0.41
CDK5 Q00535 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
ACVR1 Q04771 1/20 0.39
TNK2 Q07912 1/20 0.39
AURKB Q96GD4 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
KEAP1 Q14145 2/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL22137042 0.87 LIMK1 (0.51) LIMK1ALDH1A1HSD17B10F9CDK5
SCHEMBL29889918 0.81 LIMK1 (0.56) LIMK1ALDH1A1HSD17B10F9CDK5
SCHEMBL15089113 0.81 LIMK1 (0.56) LIMK1ALDH1A1HSD17B10F9CDK5
SCHEMBL22919953 0.81 ALDH1A1 (0.52) LIMK1ALDH1A1HSD17B10F9CDK5
SCHEMBL30021871 0.80 GPR3 (0.50) LIMK1ALDH1A1HSD17B10F9CDK5
SCHEMBL2474182 0.80 GPR3 (0.50) LIMK1ALDH1A1HSD17B10F9CDK5
SCHEMBL24969647 0.80 LIMK1 (0.48) LIMK1F9CLK4ALOX5SLC9A1
SCHEMBL21041171 0.80 LIMK1 (0.48) LIMK1F9CDK5CLK4MAP4K4
SCHEMBL16283910 0.80 LIMK1 (0.48) LIMK1ALDH1A1F9ALOX5L3MBTL1
SCHEMBL31435014 0.80 LIMK1 (0.48) LIMK1ALDH1A1F9CDK5CLK4

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-3670520-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2022-01-12 EP disclosed
EP-3670520-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-06-24 EP disclosed