SCHEMBL9112416

SCHEMBL9112416

CC(=O)NCCC(F)=C(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.44
ADRA1A P35348 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PAOX Q6QHF9 3/20 0.40
F13A1 P00488 1/20 0.35
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8531536 0.80 ECE1 (0.36) TSHRALDH1A1KMT2A
SCHEMBL8530840 0.80 PLA2G2A (0.31) SMN1; SMN2
SCHEMBL9114630 0.77 MEN1 (0.54) TSHRALDH1A1KMT2A
SCHEMBL8533062 0.76 TDP1 (0.33) TSHRMTNR1A
SCHEMBL9113935 0.76 POLB (0.40) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL8584736 0.76 TSHR (0.47) TSHRALDH1A1KMT2A
SCHEMBL8530923 0.74 PLA2G2A (0.32) SMN1; SMN2
SCHEMBL27564321 0.74 TET2 (0.45) TSHR
SCHEMBL10086054 0.74
SCHEMBL8533048 0.73 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2ASMN1; SMN2

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-5457134-A Controlling nematodes, insects, acarids on plants MONSANTO COMPANY (US) 1995-10-10 US claimed