SCHEMBL20779079

SCHEMBL20779079

Cc1ccc2c(c1)-c1cc(C(F)(F)F)ccc1C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.46
KIF11 P52732 2/20 0.45
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
HSP90AA1 P07900 1/20 0.38
MCL1 Q07820 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TDP2 O95551 1/20 0.35
NPBWR1 P48145 1/20 0.35
NOTUM Q6P988 1/20 0.34
P2RX1 P51575 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL20779077 0.91 PARP1 (0.40) KIF11PARP1PARP10TDP2NOTUM
SCHEMBL19645932 0.82 HTR2A (0.49) PDK2HTR2AHTR2C
SCHEMBL26375448 0.76 KIF11 (0.49) PDK2KIF11HTR2AHSP90AA1MCL1
SCHEMBL15945815 0.74 PDK2 (0.37) PDK2KIF11MCL1PIK3CAPIK3CB
SCHEMBL10057836 0.74 PDK2 (0.37) PDK2KIF11NPBWR1
SCHEMBL19085025 0.73 PDK2 (0.61) PDK2HTR2AHTR2CPARP1SLC6A4
SCHEMBL23586953 0.73 TDP2 (0.39) KIF11PARP1PARP10TDP2
SCHEMBL13694202 0.73 MAOA (0.52) KIF11HSP90AA1MCL1PARP1PARP10
SCHEMBL19292554 0.72 HTR2A (0.42) PDK2HTR2AHTR2CCNR1CNR2
SCHEMBL4158192 0.71 CYP3A4 (0.48) KIF11NFE2L2NPBWR1

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-2019043140-A1 CROSSLINKABLE FLUORINATED POLY(ARYLENE ETHER) SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2019-03-07 WO disclosed