SCHEMBL20172389

SCHEMBL20172389

Sc1ccc2c(c1)sc1ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.37
CLK1 P49759 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32

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
SCHEMBL17740735 0.79 CLK1 (0.42) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL19725779 0.79 ATM (0.44) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL17489954 0.79 SMN1; SMN2 (0.58) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL24056392 0.79 EP300 (0.41) LMNAHPGDMAPTALDH1A1RAB9A
SCHEMBL3378060 0.77 GPR3 (0.54) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL30376713 0.77 GPR3 (0.54) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL20308229 0.76 LIMK1 (0.38) LIMK1CLK1LMNAHPGDMAPT
SCHEMBL21237813 0.76 NPC1 (0.40) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL4903332 0.74 LIMK1 (0.50) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL21026836 0.74 NPC1 (0.43) LIMK1CLK1LMNARAB9ANPC1

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-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed