SCHEMBL6310745

SCHEMBL6310745

COC(N)=S.NC(=S)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 1/20 0.40
TYR P14679 1/20 0.40
TSHR P16473 1/20 0.40
TAS2R38 P59533 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
TMPRSS15 P98073 1/20 0.37

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
SCHEMBL28806666 0.98 CA4 (0.41) CA4ALDH1A1MAPTHTTMEN1
SCHEMBL28674679 0.98 CA4 (0.41) CA4ALDH1A1MAPTHTTMEN1
SCHEMBL3038674 0.91 TSHR (0.41) CA4ALDH1A1MEN1KMT2ATP53
SCHEMBL2784281 0.91 TSHR (0.41) CA4ALDH1A1MEN1KMT2ATP53
Dimethylamine SCHEMBL27810503 0.89 ALDH1A1 (0.39) CA4ALDH1A1MAPTHTTMEN1
Methylamine SCHEMBL28786820 0.89 CA4 (0.39) CA4ALDH1A1MEN1KMT2ATP53
SCHEMBL2461841 0.89 PARP10 (0.39) ALDH1A1MEN1KMT2ATP53TYR
SCHEMBL4437075 0.89 PARP10 (0.39) ALDH1A1MEN1KMT2ATP53TYR
SCHEMBL11117992 0.89 PARP10 (0.39) ALDH1A1MEN1KMT2ATP53TYR
Methane SCHEMBL15259544 0.89 PARP10 (0.39) ALDH1A1MEN1KMT2ATP53TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874499-A Graphene oxide loaded rare earth vulcanization accelerator and preparation method thereof 北京化工大学 2022-08-09 CN claimed
US-6858568-B2 Metal lubricants containing a bridge complex MEC INTERNATIONAL CORPORATION (JP) 2005-02-22 US claimed
US-20020123435-A1 Metal lubricants containing a bridge complex MEC INTERNATIONAL CORPORATION 2002-09-05 US claimed
CN-101117564-A Process for preparing rubber water-proof coiled material ZHONGHONG TIANJIN IND CO LTD (CN) 2008-02-06 CN disclosed