SCHEMBL30701079

SCHEMBL30701079

N#Cc1ccc(NCC(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.48
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
USP30 Q70CQ3 1/20 0.40
KAT2B Q92831 1/20 0.40
EGLN1 Q9GZT9 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FLT1 P17948 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2806654 1.00 MAP2K1 (0.48) MAP2K1FFAR1FFAR4PTGDR2CXCR1
SCHEMBL2773527 0.92 MAP2K1 (0.43) MAP2K1FFAR1FFAR4PTGDR2CXCR1
SCHEMBL8118450 0.88 MAP2K1 (0.45) MAP2K1FFAR1FFAR4PTGDR2EGLN1
SCHEMBL13542003 0.81 KDM4E (0.53) MAP2K1FFAR1PTGDR2CXCR1CXCR2
SCHEMBL18112296 0.79 MAP2K1 (0.51) MAP2K1FFAR1FFAR4CXCR1CXCR2
SCHEMBL19133477 0.79 KAT2B (0.44) MAP2K1FFAR1FFAR4CXCR1CXCR2
SCHEMBL30882179 0.78 ALDH1A1 (0.50) PKMALDH1A1MAPT
SCHEMBL188080 0.78 ALDH1A1 (0.50) PKMALDH1A1MAPT
SCHEMBL8113563 0.78 PTGDR2 (0.43) PTGDR2EGLN1MEN1KMT2AFLT1
SCHEMBL8114370 0.78 FFAR1 (0.46) FFAR1FFAR4PTGDR2EGLN1KMT2A

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
CN-117224537-A Application of 2-fludarifenacin chlorine-containing derivative in preparation of medicines for inhibiting and treating colon cancer 浙江广厦建设职业技术大学 2023-12-15 CN disclosed