SCHEMBL24728293

SCHEMBL24728293

CNCC(=O)NCCCCNC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP2 P42575 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
NAAA Q02083 1/20 0.37
PAOX Q6QHF9 2/20 0.36
SLC6A5 Q9Y345 2/20 0.36
EPHX1 P07099 2/20 0.34
TSHR P16473 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
SCHEMBL25140466 0.85 MEN1 (0.52) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL6284235 0.82 KDM4E (0.44) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL19606563 0.81 CASP2 (0.61) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL23568447 0.81 PAOX (0.47) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL6284516 0.80 KDM4E (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL19401722 0.80 MEN1 (0.46) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL13311543 0.79 CA1 (0.46) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL21613628 0.79 CASP2 (0.64) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL21765847 0.79 KDM4E (0.67) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL22340820 0.79 CASP2 (0.64) MEN1KMT2ACASP2NAAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116911-A1 ANTI-FRα ANTIBODY, AND ANTIBODY-DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2023-06-29 WO disclosed
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 WO disclosed
WO-2022253284-A1 DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2022-12-08 WO disclosed