SCHEMBL28384779

SCHEMBL28384779

NC(=O)Oc1cc(C(F)(F)F)c(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ KIF11 P52732 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ HTT P42858 2/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALKBH5 Q6P6C2 1/20 0.30

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
SCHEMBL29177383 0.81 KIF11 (0.35) NOTUMKIF11MEN1KMT2ATAS2R14
SCHEMBL28387002 0.78 HSP90AA1 (0.35) KIF11HTR2AHTR2C
SCHEMBL28645960 0.77 MEN1 (0.36) KIF11MEN1KMT2AMAPTLMNA
SCHEMBL17796987 0.75 SLC1A3 (0.38) KIF11MEN1KMT2AHTTNPC1
SCHEMBL29236517 0.73 IDO1 (0.33) KIF11MEN1KMT2AMAPTDGAT1
SCHEMBL28892767 0.72 HTR2A (0.44) LMNAHTTRAB9AHTR2AHTR2C
SCHEMBL29177250 0.71 EPHX2 (0.45) KIF11MEN1KMT2A
SCHEMBL31145404 0.71 DGAT1 (0.49) NOTUMKIF11MEN1KMT2AMAPT
SCHEMBL22093024 0.71 DGAT1 (0.49) NOTUMKIF11MEN1KMT2AMAPT
SCHEMBL9227013 0.70 NOTUM (0.36) NOTUMKIF11MEN1KMT2AMAPT

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-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 — — CN disclosed
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