SCHEMBL21844937

SCHEMBL21844937

CN(CCO)S(=O)(=O)c1cc(C(O)Nc2cc(F)c(F)c(F)c2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL18948558 0.86 GSTO1 (0.46) GSTO1ALDH1A1KMT2AMEN1MAPT
SCHEMBL15076381 0.77 MAPT (0.53) GSTO1ALDH1A1KMT2AMEN1MAPT
SCHEMBL19308079 0.77 TRPV4 (0.35) MAPTTRPV4
SCHEMBL15076612 0.70 CYP1A2 (0.46) GSTO1ALDH1A1KMT2AMEN1MAPT
SCHEMBL18948570 0.69 TRPV4 (0.33) TRPV4CYP1A2
SCHEMBL18947634 0.69 ALDH1A1 (0.49) GSTO1ALDH1A1KMT2AMEN1MAPT
SCHEMBL1775837 0.69 ALDH1A1 (0.44) GSTO1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL15076743 0.68 GSTO1 (0.58) GSTO1ALDH1A1KMT2AMEN1MAPT
SCHEMBL22818589 0.68 CYP3A4 (0.53) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL20647810 0.68 CYP3A4 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA

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
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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