SCHEMBL6392152

SCHEMBL6392152

O=C(O)N(F)C(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL28017337 0.77 ALOX5 (0.53) SRCCYP2D6LMNAMAPK1ALOX5
SCHEMBL2525081 0.74 DPP4 (0.39) SRCCYP2D6TDP1
SCHEMBL11707792 0.72 DPP4 (0.38) SRCCYP2D6TDP1
SCHEMBL14694051 0.71 CYP2D6 (0.40) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11097148 0.71 MEN1 (0.45) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL241909 0.67 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28232530 0.67 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL9394507 0.67 SRC (0.50) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28232476 0.67 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL16114585 0.67 KDM4E (0.46) TDP1ALOX5KMT2A

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-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed