SCHEMBL21707970

SCHEMBL21707970

Nc1cccc(C(=O)Cl)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 1/20 0.52
MMP2 P08253 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
BCHE P06276 1/20 0.42
CRBN Q96SW2 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
FADS1 O60427 2/20 0.37
ALB P02768 1/20 0.35
G6PD P11413 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL19185970 0.84 ALDH1A1 (0.62) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL31413038 0.81 MMP2 (0.45) ALDH1A1ALOX15MMP2CES2CES1
SCHEMBL30623038 0.81 MMP2 (0.45) ALDH1A1ALOX15MMP2CES2CES1
SCHEMBL602307 0.81 MMP2 (0.61) ALDH1A1ALOX15MMP2CES2CES1
SCHEMBL31227767 0.81 MMP2 (0.61) ALDH1A1ALOX15MMP2CES2CES1
SCHEMBL27651120 0.81 MMP2 (0.45) ALDH1A1ALOX15MMP2CES2CES1
Hydrochloric Acid SCHEMBL28822564 0.79 MMP2 (0.59) ALDH1A1ALOX15MMP2CES2CES1
SCHEMBL13862137 0.79 MMP2 (0.44) ALDH1A1MMP2CES2CES1BCHE
SCHEMBL2473273 0.78 MMP2 (0.47) ALDH1A1ALOX15MMP2MAPTGAA
SCHEMBL104744 0.78 CES2 (0.68) ALDH1A1ALOX15CES2CES1BCHE

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-119552089-A Preparation method of 3-amino-2-fluorobenzoyl chloride and derivatives thereof 帕潘纳(北京)科技有限公司 2025-03-04 CN disclosed
CN-119552089-A Preparation method of 3-amino-2-fluorobenzoyl chloride and derivatives thereof 帕潘纳(北京)科技有限公司 2025-03-04 CN disclosed
CN-119552089-A Preparation method of 3-amino-2-fluorobenzoyl chloride and derivatives thereof 帕潘纳(北京)科技有限公司 2025-03-04 CN disclosed
CN-119504465-A Preparation method of 3-amino-2-fluorobenzoyl halide 帕潘纳(北京)科技有限公司 2025-02-25 CN disclosed
WO-2021078293-A1 3-N-CYCLOPROPYLMETHYL-2-FLUOROBENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 南通泰禾化工股份有限公司 2021-04-29 WO disclosed
WO-2020030095-A1 PHARMACEUTICAL COMPOSITION CONTAINING META-DIAMIDE COMPOUND AND USE THEREOF 上海泰禾国际贸易有限公司 2020-02-13 WO disclosed