SCHEMBL22670326

SCHEMBL22670326

CC(C)=C(F)c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PBRM1 Q86U86 1/20 0.47
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 3/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
NOS1 P29475 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL29433355 1.00 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL11707151 0.79 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL11707144 0.79 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL22745682 0.77 CES2 (0.54) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL22670425 0.75 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL22745754 0.75 HTT (0.49) RAB9AMEN1GAAKMT2ANPC1
SCHEMBL29433446 0.75 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL22671367 0.75 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL29433382 0.75 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL8344640 0.74 PBRM1 (0.61) F2PLGPRSS1PRSS2PRSS3

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-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed