SCHEMBL27650403

SCHEMBL27650403

FC(F)(F)Nc1ncccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.41
NTRK1 P04629 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ENPP1 P22413 1/20 0.36
CKS1B P61024 2/20 0.36
SKP2 Q13309 2/20 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
SCHEMBL17612628 0.76 KDM4E (0.44) TOP1USP30CYP3A4CYP2C9CYP2C19
SCHEMBL15401372 0.73 FABP3 (0.46) USP30ALDH1A1HTT
SCHEMBL27354404 0.72 CA12 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL28146276 0.72 DHODH (0.53) TOP1KCNA5KCNH2ALDH1A1HTT
SCHEMBL28530013 0.71 KMT2A (0.50) NTRK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27687503 0.71 HDAC1 (0.45) CYP2C9ALDH1A1HTTHSD17B10
SCHEMBL29601675 0.69 L3MBTL1 (0.58) NTRK1USP30CYP3A4CHRNB2CHRNB4
SCHEMBL2789429 0.69 ABCG2 (0.50) ALDH1A1DHODH
SCHEMBL27617775 0.69 IKBKB (0.49) NTRK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29078792 0.69 L3MBTL1 (0.58) NTRK1USP30CYP3A4CHRNB2CHRNB4

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-1763012-A Sodium niflumic acid production process GU YUMEI (CN) 2006-04-26 CN disclosed