SCHEMBL28463256

SCHEMBL28463256

O=C(NCC(O)CO)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT5 O14744 1/20 0.47
CA12 O43570 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL4979894 0.83 LMNA (0.53) ALDH1A1HPGDKDM4EKMT2ANPC1
SCHEMBL12301897 0.83 LMNA (0.53) ALDH1A1HPGDKDM4EKMT2ANPC1
SCHEMBL24227433 0.83 PRMT5 (0.57) ALDH1A1HPGDKDM4EKMT2APRMT5
SCHEMBL9781002 0.83 PRMT5 (0.52) ALDH1A1HPGDKDM4EPRMT5NPC1
SCHEMBL13157814 0.83 LMNA (0.53) ALDH1A1HPGDKDM4EKMT2ANPC1
SCHEMBL31226138 0.83 KDM4E (0.48) ALDH1A1HPGDKDM4EKMT2APRMT5
SCHEMBL6154030 0.82 NPC1 (0.64) ALDH1A1HPGDKDM4EKMT2APRMT5
SCHEMBL3465056 0.82 NPC1 (0.64) ALDH1A1HPGDKDM4EKMT2APRMT5
SCHEMBL16898615 0.81 OGG1 (0.63) OGG1ALDH1A1HPGDOPRM1OPRD1
SCHEMBL21590151 0.81 ALDH1A1 (0.56) OGG1ALDH1A1HPGDKDM4EOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111788195-B Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2023-11-21 CN disclosed
CN-111788195-A Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2020-10-16 CN disclosed