SCHEMBL27787243

SCHEMBL27787243

N#Cc1cccc2cccc-2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.63
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA5 P31644 3/20 0.55
GABRA3 P34903 3/20 0.55
XDH P47989 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
GABRA1 P14867 1/20 0.55
PTPN5 P54829 1/20 0.54
IDO1 P14902 2/20 0.53
NOTUM Q6P988 1/20 0.53
MAOB P27338 1/20 0.53
PGR P06401 3/20 0.51
TSHR P16473 1/20 0.50
MAP4K4 O95819 1/20 0.50
ENPP2 Q13822 1/20 0.50
ADRA2C P18825 1/20 0.50

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
Hydrochloric Acid SCHEMBL28007259 0.97 CLK4 (0.61) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL2154026 0.97 CLK4 (0.65) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL270874 0.95 GABRG2 (0.61) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL29425207 0.95 GABRG2 (0.61) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18411368 0.93 GABRG2 (0.59) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL21189130 0.93 CLK4 (0.57) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18411383 0.93 GABRG2 (0.59) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL693857 0.89 CLK4 (0.53) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL29511815 0.89 XDH (0.56) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL20396126 0.89 XDH (0.56) CLK4GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440528-A Fourth Ring Bu Luomo structural domain inhibitor 艾伯维公司 2018-08-24 CN claimed
CN-105026403-B Tetracyclic Bromodomain Inhibitors 艾伯维公司 2018-05-18 CN claimed
CN-105026403-A Tetracyclic bromodomain inhibitors ABBVIE INC 2015-11-04 CN claimed
CN-109400708-A The antibody and application thereof of Olanzapine haptens 詹森药业有限公司 2019-03-01 CN disclosed
CN-104755093-B Antibodies to olanzapine haptens and uses thereof 詹森药业有限公司 2018-11-16 CN disclosed
CN-108440528-A Fourth Ring Bu Luomo structural domain inhibitor 艾伯维公司 2018-08-24 CN disclosed
CN-105026403-B Tetracyclic Bromodomain Inhibitors 艾伯维公司 2018-05-18 CN disclosed
CN-105026403-A Tetracyclic bromodomain inhibitors ABBVIE INC 2015-11-04 CN disclosed
CN-104854110-A Olanzapine haptens JANSSEN PHARMACEUTICA NV 2015-08-19 CN disclosed
CN-104755093-A Antibodies to olanzapine haptens and uses thereof ORTHO CLINICAL DIAGNOSTICS INC 2015-07-01 CN disclosed
CN-101541811-B Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD 2014-07-09 CN disclosed
CN-101541811-A Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD (JP) 2009-09-23 CN disclosed