SCHEMBL18407892

SCHEMBL18407892

C[C@H](CO)N(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)F)c2)n(C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.41
▸ TP53 P04637 4/20 0.40
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL18407979 0.87 TP53 (0.49) THRBTP53LMNAPOLBTDP1
SCHEMBL21707955 0.83 HTR2B (0.43) THRBTP53LMNAPOLBTDP1
SCHEMBL16257366 0.83 HTR2B (0.43) THRBTP53LMNAPOLBTDP1
SCHEMBL16236804 0.81 TP53 (0.46) THRBTP53LMNAPOLBTDP1
SCHEMBL18407881 0.76 POLB (0.44) THRBTP53LMNAPOLBTDP1
SCHEMBL16257327 0.75 THRB (0.43) THRBTP53LMNAPOLBTDP1
SCHEMBL17700845 0.73 HTR2B (0.53) THRBTP53LMNAPOLBTDP1
SCHEMBL21727535 0.73 POLB (0.45) THRBTP53LMNAPOLBTDP1
SCHEMBL16237617 0.72 MEN1 (0.44) THRBTP53LMNAPOLBTDP1
SCHEMBL17700935 0.72 MEN1 (0.44) THRBTP53LMNAPOLBTDP1

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-3121164-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2017-01-25 — — EP disclosed
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