SCHEMBL21423960

SCHEMBL21423960

CC(=O)NCCc1cn(C)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
F13A1 P00488 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
NQO2 P16083 2/20 0.40
HTT P42858 1/20 0.39
MTNR1A P48039 7/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
MTNR1B P49286 6/20 0.37
ACACB O00763 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL23011882 0.85 OPRM1 (0.35)
SCHEMBL16579400 0.83 NOTUM (0.52) NOTUMKMT2A
SCHEMBL23011813 0.81 GBA1 (0.41) KDM4EF13A1QPCTQPCTLHTT
SCHEMBL22525951 0.78 GBA1 (0.45)
SCHEMBL24513686 0.78 DGAT1 (0.39) MTNR1ASMN1; SMN2HSD17B10MTNR1BTSHR
SCHEMBL15791171 0.77 DDX3X (0.41) ALDH1A1
SCHEMBL26226174 0.76 GBA1 (0.46)
SCHEMBL18814049 0.75 MAOA (0.41)
SCHEMBL23807086 0.75 GBA1 (0.43)
SCHEMBL14115869 0.75 HPGD (0.43) KDM4EHTTLMNASMN1; SMN2ALDH1A1

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
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
WO-2019189778-A1 COMPOUND WITH ANTICANCER ACTIVITY 協和発酵キリン株式会社 2019-10-03 WO disclosed