SCHEMBL28529101

SCHEMBL28529101

N#CCC(O[PH](=O)OC(CC#N)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
GSR P00390 1/20 0.34
CTSS P25774 3/20 0.32
CTSK P43235 1/20 0.32
PNP P00491 1/20 0.32
NOS2 P35228 4/20 0.31
SLC6A4 P31645 4/20 0.31
CYP2D6 P10635 3/20 0.31
SLC6A2 P23975 3/20 0.31
CTSL P07711 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR1 P21554 1/20 0.30
ALDH1A1 P00352 2/20 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
SCHEMBL28510315 0.79 PBRM1 (0.42) PBRM1TRPA1TSHRCTSSCTSK
SCHEMBL734453 0.76 PBRM1 (0.41) PBRM1TRPA1TSHRGSRCTSS
SCHEMBL10898190 0.76 TAAR1 (0.46) GSRNOS2SLC6A4SLC6A2
SCHEMBL28980078 0.76 LMNA (0.42) GSRSLC6A4MEN1KMT2AALDH1A1
SCHEMBL28600272 0.76 PBRM1 (0.51) PBRM1TRPA1TSHRCTSSCTSK
SCHEMBL292595 0.75 PBRM1 (0.41) PBRM1TSHRGSRCTSSCTSK
SCHEMBL292594 0.75 PBRM1 (0.41) PBRM1TSHRGSRCTSSCTSK
SCHEMBL1267601 0.75 PBRM1 (0.44) PBRM1TRPA1TSHRGSRCTSS
SCHEMBL11578746 0.74 EPHX1 (0.42) SLC6A4SLC6A2ALDH1A1
SCHEMBL28393502 0.74 SLC6A4 (0.50) PBRM1TSHRSLC6A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109137124-B Preparation method of flame-retardant fabric 昱天(上海)新材料有限公司 2020-12-22 CN claimed
CN-109137124-B Preparation method of flame-retardant fabric 昱天(上海)新材料有限公司 2020-12-22 CN disclosed
CN-109137124-B Preparation method of flame-retardant fabric 昱天(上海)新材料有限公司 2020-12-22 CN disclosed
CN-109761530-A A kind of epoxy resin concrete material with cracking resistance 深圳市欧科力科技有限公司 2019-05-17 CN disclosed
CN-109137124-A A kind of preparation method of inflaming retarding fabric 盛世瑶兰(深圳)科技有限公司 2019-01-04 CN disclosed