SCHEMBL28199843

SCHEMBL28199843

Cc1ccccc1OP(O)(=S)OC#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
AR P10275 5/20 0.35
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL30320756 0.84 TSHR (0.41) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL28299991 0.79 KDM4E (0.37) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL28286381 0.77 KDM4E (0.36) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL10455276 0.76 TSHR (0.41) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL28069076 0.75 SRC (0.45) KDM4ETSHR
SCHEMBL27999243 0.75 KDM4E (0.37) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL27783014 0.72 KMT2A (0.38) KDM4EALDH1A1MAPTCYP1A2NPSR1
SCHEMBL27675838 0.72 SRC (0.40) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL29581117 0.72 TSHR (0.43) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL7100690 0.72 TSHR (0.43) KDM4EALDH1A1MAPTTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109585920-A Lithium ion battery and its electrolyte 欣旺达电子股份有限公司 2019-04-05 CN claimed
CN-108863851-A A kind of branching type water-based carbodiimides type crosslinking agent and preparation method thereof 成都创世芯研科技有限公司 2018-11-23 CN disclosed
CN-104932155-B Sealant for liquid crystal dripping process, upper and lower conductive material and liquid crystal display cells 积水化学工业株式会社 2018-04-03 CN disclosed