SCHEMBL2014585

SCHEMBL2014585

CON(C)C(=O)c1cc(F)c(F)c(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
LMNA P02545 2/20 0.37
FABP2 P12104 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C4 P17516 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SLC22A6 Q4U2R8 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
SCHEMBL3459044 0.82 CES2 (0.48) MLYCDTRPM8GPBAR1LMNAACHE
SCHEMBL27878097 0.77 TTR (0.54) MEN1KMT2APTGS1PTGS2FABP2
SCHEMBL13670738 0.75 NPSR1 (0.62) MLYCDTRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL26709446 0.75 LMNA (0.42) MLYCDPTGS1PTGS2LMNATSHR
SCHEMBL18069275 0.74 OXTR (0.49) MLYCDMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8986031 0.74 MEN1 (0.69) TRPM8MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL23573107 0.74 DHODH (0.49) MEN1KMT2APTGS1PTGS2LMNA
SCHEMBL4449884 0.74 MAPT (0.56) MLYCDSMN1; SMN2LMNAMAPTHPGD
SCHEMBL20982579 0.73 MLYCD (0.49) MLYCDTRPM8KMT2ALMNAACHE
SCHEMBL772236 0.73 KMO (0.53) MEN1KMT2ALMNATSHRMAPT

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed