SCHEMBL21844941

SCHEMBL21844941

CC(O)CN(C)S(=O)(=O)c1cccc(C(O)Nc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.43
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TP53 P04637 3/20 0.39
▸ CCR5 P51681 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL15076671 0.82 RAB9A (0.55) KMT2AMEN1HTTTSHRLMNA
SCHEMBL21844939 0.77 ALDH1A1 (0.40) GBA1KMT2AMEN1HTTKDM4E
SCHEMBL18948558 0.74 GSTO1 (0.46) KMT2AMEN1HTTKDM4ETSHR
SCHEMBL18948579 0.74 KMT2A (0.40) GBA1KMT2AMEN1KDM4EMAPT
SCHEMBL15276917 0.73 LMNA (0.52) KMT2AMEN1HTTTSHRLMNA
SCHEMBL15276918 0.71 KMT2A (0.49) KMT2AMEN1HTTLMNAMAPT
SCHEMBL21844846 0.69 MDM2 (0.42) KMT2AMEN1HTTKDM4ETSHR
SCHEMBL22062424 0.69 HTR2B (0.49) GBA1ALDH1A1
SCHEMBL15076676 0.69 LMNA (0.52) KMT2AMEN1HTTTSHRLMNA
SCHEMBL20131072 0.68 HTR2B (0.50) ALDH1A1

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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