SCHEMBL29644100

SCHEMBL29644100

Cc1c(Br)ccc(F)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EPRS1 P07814 2/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
GPR35 Q9HC97 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE10A Q9Y233 1/20 0.33
METAP2 P50579 1/20 0.33
CAT P04040 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL14786070 1.00 CES2 (0.35) CES2CES1EPRS1FABP3FABP4
SCHEMBL21123400 0.84 KMT2A (0.38) FABP4MEN1KMT2ANPC1MAPT
SCHEMBL28815980 0.84 FABP3 (0.40) EPRS1FABP3FABP4GPR35MEN1
SCHEMBL18675828 0.84 PKM (0.37) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL6302351 0.83 FABP3 (0.44) CES2CES1EPRS1FABP3FABP4
SCHEMBL28792146 0.83 GPR35 (0.38) EPRS1GPR35MEN1KMT2ASMN1; SMN2
SCHEMBL30673290 0.83 FABP3 (0.44) CES2CES1EPRS1FABP3FABP4
SCHEMBL29684453 0.83 GPR35 (0.38) EPRS1GPR35MEN1KMT2ASMN1; SMN2
SCHEMBL31024688 0.79 LMNA (0.43) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL21621671 0.79 LMNA (0.43) MEN1KMT2ASMN1; SMN2NPC1MAPT

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-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed