SCHEMBL28339795

SCHEMBL28339795

NC(=O)OCCNC(=O)c1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
LMNA P02545 3/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABCB1 P08183 3/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28880958 0.87 HPGD (0.53) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL20492672 0.87 MEN1 (0.48) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL24240443 0.86 MEN1 (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL28342305 0.81 TDP1 (0.42) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL20841157 0.80 HPGD (0.43) HPGDLMNAKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL20492781 0.80 ALDH1A1 (0.43) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL20492552 0.78 DRD2 (0.42) LMNAKMT2AMEN1POLBABCB1
SCHEMBL21063758 0.76 ALDH1A1 (0.46) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL6766529 0.75 RAB9A (0.54) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL21065688 0.74 HPGD (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2

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