SCHEMBL28602884

SCHEMBL28602884

FC=C(c1ccccc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ TACR1 P25103 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ TP53 P04637 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
SCHEMBL30805663 0.82 BCAT2 (0.42) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL9244918 0.76 BCAT2 (0.40) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL9244924 0.76 BCAT2 (0.40) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28418150 0.75 BCAT2 (0.48) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL307520 0.73 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28523443 0.73 BCAT2 (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Trifluoroacetic Acid SCHEMBL16720000 0.72 HNF4A (0.56) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL3731523 0.71 CES1 (0.48) ALDH1A1TSHR
SCHEMBL29187350 0.70 BCAT2 (0.44) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27344036 0.70 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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
CN-107324970-B Crosslinking agent and fluorine-containing aromatic compound 霓佳斯株式会社 2021-06-29 — — CN disclosed
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