SCHEMBL22658247

SCHEMBL22658247

Cc1cc(C(=O)O)nc(-c2ccc(OC(F)F)c(-c3ccccc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
TTR P02766 2/20 0.39
GRM2 Q14416 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
FAAH O00519 2/20 0.38
XDH P47989 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
F11 P03951 1/20 0.37
DRD1 P21728 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CFTR P13569 1/20 0.36
RBP4 P02753 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL29408160 1.00 SYK (0.40) SYKTTRGRM2LMNAKDM4E
SCHEMBL22678288 0.80 ACSS2 (0.49) SYKLMNANPC1RAB9A
SCHEMBL29409985 0.80 ACSS2 (0.49) SYKLMNANPC1RAB9A
SCHEMBL22678524 0.79 MCL1 (0.47) GRM2
SCHEMBL29408290 0.79 MCL1 (0.47) GRM2
SCHEMBL22678541 0.78 EPAS1 (0.44) SYKLMNANPC1RAB9A
SCHEMBL29409952 0.78 XDH (0.56) SYKLMNAKDM4EXDHALDH1A1
SCHEMBL22658090 0.78 XDH (0.56) SYKLMNAKDM4EXDHALDH1A1
SCHEMBL6397903 0.77 LMNA (0.57) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL2577413 0.77 LMNA (0.61) LMNAKDM4ENPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3969439-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-03-23 EP disclosed
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed