SCHEMBL7700919

SCHEMBL7700919

O=C(OC(F)c1ccccc1)c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL7258103 0.83 ESR1 (0.51) SRCESR1ESR2CYP2D6KMT2A
SCHEMBL10688255 0.78 KMT2A (0.38) SRCESR1ESR2KMT2ATSHR
SCHEMBL130469 0.76 PDCD1 (0.47) KMT2ATP53TSHRLMNAALDH1A1
SCHEMBL28088354 0.75 TSHR (0.57) ESR1ESR2KMT2ATP53TSHR
SCHEMBL28387238 0.73 CYP2D6 (0.44) SRCESR1ESR2CYP2D6KMT2A
SCHEMBL28387237 0.73 CYP2D6 (0.44) SRCESR1ESR2CYP2D6KMT2A
SCHEMBL11082448 0.71 ESR1 (0.41) SRCESR1ESR2CYP2D6KMT2A
SCHEMBL10700173 0.71 TSHR (0.37) CYP2D6KMT2ATSHRLMNAALDH1A1
SCHEMBL6953946 0.71 MAPT (0.41) CYP2D6KMT2ATP53TSHRLMNA
SCHEMBL8747402 0.71 TSHR (0.35) CYP2D6KMT2ATSHRLMNAALDH1A1

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-2002057262-A2 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO claimed