SCHEMBL28816308

SCHEMBL28816308

C=C(CC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)ONC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ATF4 P18848 2/20 0.30
APEX1 P27695 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL9128560 0.69 ERCC5 (0.41) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL8875853 0.68 GAA (0.48) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL29943543 0.67 GAA (0.47) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL28816302 0.67 GAA (0.47) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL4714980 0.65 TDP1 (0.42) HPGDGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL29037470 0.65 HPGD (0.45) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL28076474 0.64 TSHR (0.47) HPGDSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL3930975 0.64 PIK3CA (0.40) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL29445578 0.64 HPGD (0.47) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9562462 0.64 GAA (0.42) HPGDGAASMN1; SMN2NPC1RAB9A

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-114933543-B Synthetic method of 3-cyclopropylamino-2- (2,4-dichloro-5-fluorobenzoyl) methyl acrylate 山东国邦药业有限公司 2022-10-28 CN claimed
CN-114933543-A Synthetic method of 3-cyclopropylamino-2- (2, 4-dichloro-5-fluorobenzoyl) methyl acrylate 山东国邦药业有限公司 2022-08-23 CN claimed
CN-114933543-B Synthetic method of 3-cyclopropylamino-2- (2,4-dichloro-5-fluorobenzoyl) methyl acrylate 山东国邦药业有限公司 2022-10-28 CN disclosed
CN-114933543-A Synthetic method of 3-cyclopropylamino-2- (2, 4-dichloro-5-fluorobenzoyl) methyl acrylate 山东国邦药业有限公司 2022-08-23 CN disclosed