SCHEMBL28880958

SCHEMBL28880958

NC(=O)OCCNC(=O)c1ccc(CN2CCc3ncc(N)cc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
LMNA P02545 5/20 0.49
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.42
DHFR P00374 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
ABCB1 P08183 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
NPC1 O15118 2/20 0.39
TNF P01375 2/20 0.39
RAB9A P51151 2/20 0.39
NOD2 Q9HC29 2/20 0.39

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
SCHEMBL28339795 0.87 HPGD (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL20492724 0.87 HPGD (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL21065688 0.87 HPGD (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL20841005 0.79 HPGD (0.45) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL21413548 0.78 MEN1 (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL21841726 0.77 HPGD (0.52) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL21063795 0.75 MAPT (0.43) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL20841022 0.75 HPGD (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL24240531 0.75 LMNA (0.43) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL6772037 0.73 MEN1 (0.60) KMT2AMEN1SMN1; SMN2DHFROPRM1

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-111601822-A Antibody construct-drug conjugates for the treatment of hepatitis 希沃尔拜克治疗公司 2020-08-28 CN disclosed
CN-110612104-A Benzazepine compounds, conjugates and uses thereof 希沃尔拜克治疗公司 2019-12-24 CN disclosed