SCHEMBL28292710

SCHEMBL28292710

COC(=O)C(CCSC)N(C(N)=S)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.45
FNTB P49356 7/20 0.45
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 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
SCHEMBL28216942 0.89 USP2 (0.41) FNTAFNTBRECQLL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL8516072 0.76 FNTA (0.42) FNTAFNTBRECQLL3MBTL1CYP3A4
SCHEMBL28294332 0.76 ALDH1A1 (0.39) FNTAFNTBALDH1A1KMT2AMEN1
SCHEMBL9080538 0.74 EPOR (0.45) FNTAFNTBRECQLL3MBTL1CYP3A4
SCHEMBL10585916 0.70 ALDH1A1 (0.39) FNTAFNTBALDH1A1KMT2AMEN1
SCHEMBL18095164 0.69 L3MBTL1 (0.74) FNTAFNTBL3MBTL1CYP3A4CYP2C19
SCHEMBL2323686 0.69 L3MBTL1 (0.74) FNTAFNTBL3MBTL1CYP3A4CYP2C19
SCHEMBL27577746 0.69 CHRNB2 (0.42) L3MBTL1ALDH1A1KMT2ALTA4HGAA
SCHEMBL8584371 0.68 KMT2A (0.51) RECQLL3MBTL1CYP3A4CYP2C19KMT2A
SCHEMBL7213785 0.68 FNTA (0.35) FNTAFNTBRECQLL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed