SCHEMBL17844105

SCHEMBL17844105

CC(C)(C)n1sc(-c2ccccc2)c(NCCc2ccc(OC(F)(F)F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
NRP1 O14786 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CHRM5 P08912 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HAT1 O14929 1/20 0.35
EP300 Q09472 1/20 0.35
CNR2 P34972 2/20 0.35
KDM1A O60341 1/20 0.34
FES P07332 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL17844229 0.87 MEN1 (0.48) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL5306584 0.84 NTRK1 (0.38) EPHX2HCRTR1HCRTR2FFAR1FFAR4
SCHEMBL17844151 0.81 PIM1 (0.39) KDM4ECHRM5
SCHEMBL17844217 0.79 CXCR2 (0.36)
SCHEMBL17844247 0.77 HTR1B (0.39) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL17844246 0.76 HCRTR1 (0.39) MEN1KMT2APOLBHCRTR1HCRTR2
SCHEMBL5186747 0.75 PTPN2 (0.37) POLB
SCHEMBL17844227 0.74 POLB (0.39) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL17844178 0.74 DRD4 (0.43) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL17844232 0.71 DRD2 (0.44) KDM4ECNR2

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed