SCHEMBL17064512

SCHEMBL17064512

Nc1cccc(C(CCC2CC2)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TBXAS1 P24557 1/20 0.39
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
KCNA5 P22460 4/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
MPO P05164 1/20 0.35
GRM8 O00222 1/20 0.35

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
SCHEMBL30466449 1.00 MEN1 (0.41) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL17064585 0.86 MAPKAPK2 (0.41) SLC6A2SLC6A4SLC6A3MAPKAPK2PDE4A
SCHEMBL30446809 0.84 HRH1 (0.40) MEN1LMNAPDE4A
SCHEMBL17064662 0.84 HRH1 (0.40) MEN1LMNAPDE4A
SCHEMBL17064553 0.83 TBXAS1 (0.36) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL17064729 0.78 ALDH1A1 (0.44) MEN1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL17073423 0.74 CPN1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL31067489 0.74 CPN1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL25667743 0.73 CPN1 (0.36) SLC6A2SLC6A4SLC6A3KCNH2MAPKAPK2
SCHEMBL17064640 0.70 SMN1; SMN2 (0.65) MEN1PSIP1AXLMKNK1MKNK2

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-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed