SCHEMBL28468147

SCHEMBL28468147

CC(C)CNC(=S)SCC(C)C.[Ni]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX12 P18054 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM4A O75164 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
SCHEMBL20601188 0.98 CYP2C19 (0.39) CYP2C19CYP2D6HTTSMN1; SMN2MMP1
SCHEMBL20601187 0.96 CYP2C19 (0.38) CYP2C19CYP2D6HTTSMN1; SMN2MMP1
SCHEMBL9185112 0.80 KDM4A (0.52) ALDH1A1L3MBTL1KDM4A
SCHEMBL23300622 0.77 CYP2C19 (0.44) CYP2C19CYP2D6HTTSMN1; SMN2MMP1
SCHEMBL22978478 0.77 KDM4A (0.52) CYP2C19CYP2D6HTTSMN1; SMN2MMP1
SCHEMBL8321492 0.75
SCHEMBL13101409 0.75
SCHEMBL27213955 0.74 KDM4A (0.30) KDM4A
SCHEMBL8321489 0.73
SCHEMBL24296293 0.72 KEAP1 (0.37) CYP2C19HTTSMN1; SMN2ALDH1A1KMT2A

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-111910425-A Flame-retardant antibacterial fabric and preparation method thereof 智科通用技术研究(广州)有限公司 2020-11-10 CN claimed
CN-111732826-A Heat-resistant corrosion-resistant screen mesh extrusion molding process method 安徽屹翔滤材有限公司 2020-10-02 CN claimed
CN-111910425-A Flame-retardant antibacterial fabric and preparation method thereof 智科通用技术研究(广州)有限公司 2020-11-10 CN disclosed
CN-111732826-A Heat-resistant corrosion-resistant screen mesh extrusion molding process method 安徽屹翔滤材有限公司 2020-10-02 CN disclosed