SCHEMBL21602797

SCHEMBL21602797

CCn1nnc2c1-c1ccccc1CN(C(=O)CNC)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.33
TOP2A P11388 1/20 0.32
NOTUM Q6P988 1/20 0.32
PTGER1 P34995 1/20 0.32
GRM7 Q14831 1/20 0.32
HSD17B3 P37058 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NPY5R Q15761 1/20 0.31

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
SCHEMBL17903051 0.89 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL23027271 0.87 NOTUM (0.45) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL14315405 0.85 KDM4E (0.49) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL18880167 0.84 LMNA (0.41) SMN1; SMN2KDM4EHTTTP53MAPT
SCHEMBL15606230 0.82 HSD17B3 (0.47) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL23961976 0.79 LMNA (0.38) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL16204548 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL23961901 0.79 KDM4E (0.36) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL23962003 0.79 LMNA (0.39) SMN1; SMN2KDM4EHTTALDH1A1MEN1
SCHEMBL24701748 0.79 KDM4E (0.37) SMN1; SMN2KDM4EHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019242691-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 圣多利康制药责任有限公司 2019-12-26 WO disclosed