SCHEMBL28815980

SCHEMBL28815980

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
EPRS1 P07814 1/20 0.38
GPR35 Q9HC97 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 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
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
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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 0.84 CES2 (0.35) FABP3FABP4EPRS1GPR35MEN1
SCHEMBL29644100 0.84 CES2 (0.35) FABP3FABP4EPRS1GPR35MEN1
SCHEMBL28792146 0.83 GPR35 (0.38) EPRS1GPR35MEN1KMT2ASMN1; SMN2
SCHEMBL29684453 0.83 GPR35 (0.38) EPRS1GPR35MEN1KMT2ASMN1; SMN2
SCHEMBL6302351 0.83 FABP3 (0.44) FABP3FABP4EPRS1MEN1KMT2A
SCHEMBL30673290 0.83 FABP3 (0.44) FABP3FABP4EPRS1MEN1KMT2A
SCHEMBL6343820 0.79 CES2 (0.40) MEN1KMT2ASMN1; SMN2KDM4EASPH
SCHEMBL19242268 0.79 FABP3 (0.42) FABP3FABP4MEN1KMT2ASMN1; SMN2
SCHEMBL4422996 0.78 CYP1A2 (0.41) EPRS1GPR35SMN1; SMN2
SCHEMBL6825576 0.78 CA12 (0.41) GPR35SMN1; SMN2MAPTLDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206444-A Synthesis method of 6-bromo-3-fluoro-2-methylbenzoic acid 上海毕得医药科技股份有限公司 2024-06-18 CN claimed
CN-118206444-A Synthesis method of 6-bromo-3-fluoro-2-methylbenzoic acid 上海毕得医药科技股份有限公司 2024-06-18 CN disclosed
CN-118206444-A Synthesis method of 6-bromo-3-fluoro-2-methylbenzoic acid 上海毕得医药科技股份有限公司 2024-06-18 CN disclosed
CN-118206444-A Synthesis method of 6-bromo-3-fluoro-2-methylbenzoic acid 上海毕得医药科技股份有限公司 2024-06-18 CN disclosed
CN-114621135-B LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2024-01-30 CN disclosed
CN-114621135-A LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed