SCHEMBL28290569

SCHEMBL28290569

C=C(C)C(=O)NCCCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
PAOX Q6QHF9 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 3/20 0.35
ALB P02768 1/20 0.35
DPP7 Q9UHL4 1/20 0.33
ADRA1A P35348 1/20 0.33
EPHX1 P07099 2/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL16176238 0.96 ALOX15 (0.40) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL17440414 0.94 ALOX15 (0.39) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL28926111 0.90 TDP1 (0.37) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL907569 0.85 KDM4E (0.52) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL8775499 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL59429 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL8775285 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL8775297 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL8775294 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL8774992 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPK1

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-109569331-B Preparation method of hydrophilic antibacterial filter membrane 万华化学集团股份有限公司 2021-10-22 CN disclosed
CN-109569331-A A kind of preparation method of hydrophilic antibiotic filter membrane 万华化学集团股份有限公司 2019-04-05 CN disclosed