SCHEMBL17740735

SCHEMBL17740735

Brc1ccc2c(c1)sc1ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.42
EGFR P00533 2/20 0.42
KAT2B Q92831 1/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LIMK1 P53667 3/20 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 1/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL16693330 0.86 CLK1 (0.42) CLK1EGFRKAT2BHTTCYP1A2
SCHEMBL19725779 0.79 ATM (0.44) CLK1KAT2BLIMK1IKBKBCHUK
SCHEMBL24056392 0.79 EP300 (0.41) KAT2BCYP1A2CYP2C19LMNAHPGD
SCHEMBL17489954 0.79 SMN1; SMN2 (0.58) CLK1EGFRHTTLIMK1IKBKB
SCHEMBL20172389 0.79 LIMK1 (0.37) CLK1EGFRLIMK1IKBKBCHUK
SCHEMBL30376713 0.77 GPR3 (0.54) CLK1KAT2BLIMK1IKBKBCHUK
SCHEMBL3378060 0.77 GPR3 (0.54) CLK1KAT2BLIMK1IKBKBCHUK
SCHEMBL19660882 0.76 POLB (0.40) CLK1EGFRKAT2BLMNAATM
SCHEMBL21237813 0.76 NPC1 (0.40) CLK1LIMK1IKBKBCHUKCDC7
SCHEMBL205544 0.74 RAB9A (0.41) HTTCYP1A2CYP2C19HPGDSMN1; SMN2

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-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 WO disclosed