SCHEMBL21112014

SCHEMBL21112014

C=C(C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 4/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 3/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL22640205 0.86 RXFP1 (0.35) RXFP1GAAALDH1A1KMT2AMEN1
SCHEMBL13756108 0.83 MAOA (0.39) RXFP1GAAALDH1A1KMT2AMEN1
SCHEMBL14666450 0.83 RXFP1 (0.33) RXFP1ALDH1A1KMT2ATDP1HTT
SCHEMBL1726079 0.75 GAA (0.45) GAAKMT2AMEN1TDP1TSHR
SCHEMBL13756103 0.74 MAOA (0.33) RXFP1GAAALDH1A1KMT2AMEN1
SCHEMBL23883156 0.73 GAA (0.43) GAAKMT2AMEN1TSHRMAPK1
SCHEMBL20379578 0.73 RXFP1 (0.44) RXFP1GAAALDH1A1KMT2ATDP1
SCHEMBL24316347 0.73 RXFP1 (0.40) RXFP1GAAALDH1A1KMT2ATDP1
SCHEMBL11170777 0.70 ALDH1A1 (0.61) RXFP1GAAALDH1A1KMT2AMEN1
SCHEMBL14925781 0.70 HTT (0.41) GAAALDH1A1TSHRMAPK1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676554-B2 Polymer compound, film obtained by hardening this polymer compound and electronic device comprising this film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-09 US disclosed
US-20190211123-A1 POLYMER COMPOUND, FILM OBTAINED BY HARDENING THIS POLYMER COMPOUND AND ELECTRONIC DEVICE COMPRISING THIS FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-11 US disclosed