SCHEMBL9354553

SCHEMBL9354553

CCOC(=O)C(C#N)=C(S)S.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTP4A1 Q93096 1/20 0.36
MIF P14174 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35

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
SCHEMBL1493330 0.98 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL2115865 0.85 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL1754710 0.85 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL1493366 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL16534922 0.80 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL11982570 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL12389858 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL1261327 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL3021948 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL3021950 0.78 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKDM4E

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-0357783-B1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-10-26 EP disclosed
EP-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 EP disclosed