SCHEMBL20514734

SCHEMBL20514734

Cc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccc(CF)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 5/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.35

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
SCHEMBL13064249 0.89 TSHR (0.50) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL1044642 0.88 MAPT (0.45) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL13210721 0.88 NTRK1 (0.43) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL29437136 0.87 MAPT (0.41) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL167980 0.87 MAPT (0.41) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL13210713 0.87 MAPT (0.41) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL343339 0.87 TDP1 (0.47) HTTKMT2AMEN1MAPTTSHR
SCHEMBL121792 0.85 ABCG2 (0.47) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL13210812 0.85 MAPT (0.40) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL29419103 0.85 ABCG2 (0.47) ALDH1A1HTTKMT2AMEN1MAPT

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-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed