SCHEMBL28416779

SCHEMBL28416779

Cc1ccc([N+](=O)[O-])c(F)c1C(=O)OCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 5/20 0.40
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 6/20 0.35
KDM4E B2RXH2 1/20 0.34
AGTR1 P30556 1/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17145186 0.81 TDP1 (0.47) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL30438328 0.81 TDP1 (0.60) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL27323523 0.73 TDP1 (0.46) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL28416780 0.73 TDP1 (0.44) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL29740027 0.73 HSD17B10 (0.48) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL3391686 0.73 HSD17B10 (0.48) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL3634865 0.73 TSHR (0.55) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL914504 0.72 SMN1; SMN2 (0.42) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL20942954 0.72 TDP1 (0.47) L3MBTL1TDP1TSHRMEN1KMT2A
SCHEMBL18589140 0.72 ALDH1A1 (0.49) L3MBTL1TDP1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111320548-B Synthesis method of anticancer drug intermediate 2-fluoro-3-methyl aminobenzoate 浦拉司科技(上海)有限责任公司 2022-10-18 CN disclosed
CN-111320548-B Synthesis method of anticancer drug intermediate 2-fluoro-3-methyl aminobenzoate 浦拉司科技(上海)有限责任公司 2022-10-18 CN disclosed
CN-111320548-A Synthesis method of anticancer drug intermediate 2-fluoro-3-methyl aminobenzoate 浦拉司科技(上海)有限责任公司 2020-06-23 CN disclosed
CN-111320548-A Synthesis method of anticancer drug intermediate 2-fluoro-3-methyl aminobenzoate 浦拉司科技(上海)有限责任公司 2020-06-23 CN disclosed