SCHEMBL18948573

SCHEMBL18948573

CCS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.53
LMNA P02545 12/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 11/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL19324941 0.88 SMN1; SMN2 (0.51) MAPTLMNAMEN1KMT2AHTT
SCHEMBL15076378 0.86 MAPT (0.51) MAPTLMNAMEN1KMT2AHTT
SCHEMBL15076517 0.85 MAPT (0.67) MAPTLMNAMEN1KMT2AHTT
SCHEMBL21623171 0.84 MAPT (0.53) MAPTLMNAMEN1KMT2AHTT
SCHEMBL15076530 0.83 MAPT (0.54) MAPTLMNAMEN1KMT2AHTT
SCHEMBL21623372 0.83 CYP1A2 (0.57) MAPTLMNAMEN1KMT2AHTT
SCHEMBL21623309 0.81 MAPT (0.59) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19319385 0.80 SMN1; SMN2 (0.48) MAPTLMNAMEN1KMT2AHTT
SCHEMBL15076381 0.80 MAPT (0.53) MAPTLMNAMEN1KMT2AHTT
SCHEMBL21623108 0.80 MAPT (0.57) MAPTLMNAMEN1KMT2AHTT

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
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed