SCHEMBL9052445

SCHEMBL9052445

FC(F)c1cc(-c2ccc(Cl)cc2)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.53
LTA4H P09960 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN11 Q06124 1/20 0.43
TNIK Q9UKE5 1/20 0.43

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
SCHEMBL17686758 0.84 AXL (0.54) MKNK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31466033 0.80 PDPK1 (0.42) MKNK1RAB9AMAPTPOLBGCGR
SCHEMBL17686763 0.79 TNIK (0.44) NPC1RAB9AKMT2APOLBTNIK
SCHEMBL17686764 0.74 NOTUM (0.44) RAB9ANOTUM
SCHEMBL1531261 0.72 MKNK1 (0.61) MKNK1MKNK2TRPM8LTA4HNPC1
SCHEMBL27216948 0.72 MKNK1 (0.61) MKNK1MKNK2TRPM8LTA4HNPC1
SCHEMBL3070625 0.72 TRPM8 (0.62) MKNK1MKNK2TRPM8LTA4HNPC1
SCHEMBL5630086 0.72 MKNK1 (1.00) MKNK1MKNK2TRPM8LTA4HNPC1
SCHEMBL17627136 0.70 IKBKB (0.41) RAB9ASMN1; SMN2TNIKKDM4ENOTUM
SCHEMBL9049682 0.70 MAPT (0.66) MKNK1MKNK2TRPM8NPC1RAB9A

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
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed