SCHEMBL6971620

SCHEMBL6971620

[O]C(=O)c1ccoc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
SCD O00767 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
MAPK1 P28482 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL3633653 0.82 SMN1; SMN2 (0.38) SMN1; SMN2RXFP1HPGDHTTLMNA
SCHEMBL6464252 0.77 CFTR (0.44) SMN1; SMN2RXFP1HPGDHTTLMNA
SCHEMBL6971332 0.77 SCD (0.33) SMN1; SMN2RXFP1HPGDHTTLMNA
SCHEMBL9625067 0.67 KDM4E (0.50) HPGDLMNAMAPK1ESR2
SCHEMBL6969828 0.63 TP53 (0.36) SMN1; SMN2HPGDHTTLMNATSHR
SCHEMBL21128544 0.62 KMT2A (0.42) SMN1; SMN2HPGDHTTTSHRRAB9A
SCHEMBL22893863 0.60 LOXL2 (0.33)
Bicarbonate SCHEMBL28887905 0.58 L3MBTL1 (0.44) SMN1; SMN2HPGDKMT2AMAPK1ESR2
SCHEMBL11805874 0.57 CES2 (0.75) HPGDGAAMEN1KMT2ACES2
SCHEMBL4446378 0.57 CES2 (0.45) HPGDLMNASCDNPC1GAA

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed