SCHEMBL17029147

SCHEMBL17029147

Cc1cc(NS(=O)(=O)N2CCCN(c3c(Cl)cncc3Cl)CC2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.52
LMNA P02545 4/20 0.44
HTT P42858 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.40
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
CYP17A1 P05093 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
SCHEMBL16707667 0.91 FKBP1A (0.49) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL16707643 0.91 FKBP1A (0.49) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL17029146 0.85 FKBP1A (0.58) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL16707647 0.85 FKBP1A (0.58) FKBP1ALMNAMAPTALDH1A1KMT2A
SCHEMBL16707648 0.85 FKBP1A (0.47) FKBP1ALMNAMAPTALDH1A1KMT2A
SCHEMBL16707645 0.84 FKBP1A (0.45) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL16707644 0.83 FKBP1A (0.43) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL17029173 0.83 LMNA (0.50) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL21599142 0.83 FKBP1A (0.45) FKBP1ALMNAHTTMAPTALDH1A1
SCHEMBL16707658 0.80 LMNA (0.44) FKBP1ALMNAHTTMAPTALDH1A1

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-9115113-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-08-25 US disclosed