SCHEMBL28864795

SCHEMBL28864795

C=C(F)N(c1ccccc1)[SH](=O)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
EGFR P00533 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL27483458 0.76 NPSR1 (0.39) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL28111514 0.76 NPSR1 (0.46) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL27333323 0.72 NPSR1 (0.43) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL27467328 0.71 ALDH1A1 (0.54) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL28645851 0.70 NPSR1 (0.50) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL27619813 0.66 NPSR1 (0.44) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL15510278 0.66 KMT2A (0.42) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL11168711 0.66 MEN1 (0.40) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL13736332 0.64 HTT (0.46) NPSR1MEN1KMT2AHTTALDH1A1
SCHEMBL22961014 0.64 NPSR1 (0.54) NPSR1MEN1KMT2AHTTALDH1A1

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-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed