SCHEMBL3638798

SCHEMBL3638798

CCCCc1c[nH]c(C(C)=S)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
NOS2 P35228 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PDPK1 O15530 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30

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
SCHEMBL15284409 0.81 HCAR2 (0.42) KCNH2NOS2HRH3HCAR3HCAR2
SCHEMBL27797675 0.79 IKBKB (0.41) KCNH2NOS2HRH3HCAR3HCAR2
SCHEMBL9322943 0.76 HCAR2 (0.44) KCNH2HCAR3HCAR2
SCHEMBL7579081 0.73 KCNH2 (0.43) KCNH2HCAR3HCAR2IKBKB
Acetic Acid SCHEMBL27781427 0.72 HCAR2 (0.38) KCNH2NOS2HRH3HCAR3HCAR2
Acetic Acid SCHEMBL27806863 0.72 PARP1 (0.39) KCNH2NOS2HRH3HCAR3HCAR2
SCHEMBL3840247 0.72 HRH3 (0.42) KCNH2NOS2HRH3ESR1ESR2
SCHEMBL1532157 0.72 NOS2 (0.43) KCNH2NOS2HRH3HCAR3HCAR2
SCHEMBL6003432 0.71 HRH3 (0.39) KCNH2NOS2HRH3HCAR3HCAR2
SCHEMBL5924367 0.71 NOS2 (0.46) KCNH2NOS2HRH3ESR1ESR2

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-2170913-A1 PLATINUM (IV) COMPLEXES Platco Technologies (Proprietary) Limited (ZA) 2010-04-07 EP disclosed
WO-2008155727-A1 PLATINUM (IV) COMPLEXES PLATCO TECHNOLOGIES (PROPRIETARY) LIMITED (ZA) 2008-12-24 WO disclosed