SCHEMBL17844186

SCHEMBL17844186

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47
HSD11B1 P28845 1/20 0.44
MGLL Q99685 1/20 0.43
CHRM1 P11229 1/20 0.42
SCD O00767 5/20 0.41
SMO Q99835 2/20 0.41
NPY2R P49146 2/20 0.40

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
SCHEMBL17844179 0.86 MEN1 (0.47)
SCHEMBL17844237 0.83 PTPN1 (0.41)
SCHEMBL17844268 0.83 POLB (0.47) CYP2C19
SCHEMBL3549420 0.81 MEN1 (0.43) HSD11B1MGLL
SCHEMBL17844153 0.81 MAPK8 (0.41)
SCHEMBL17844211 0.79 L3MBTL1 (0.45) HSD11B1
SCHEMBL17844164 0.79 KAT2B (0.38)
SCHEMBL17844177 0.74 JAK2 (0.46) HSD11B1SMO
SCHEMBL1997124 0.74 CYP2C9 (0.46) CYP2C9CYP2C19HTR2BMAPK14HSD11B1
SCHEMBL17844131 0.72 DDB1 (0.32)

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