SCHEMBL21063758

SCHEMBL21063758

O=C(O)NCCNc1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 8/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
CFTR P13569 1/20 0.37
ABCB1 P08183 3/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCC1 P33527 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL20492672 0.89 MEN1 (0.48) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL21063795 0.85 MAPT (0.43) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL28342305 0.82 TDP1 (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL20492781 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL6766529 0.81 RAB9A (0.54) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL24240443 0.81 MEN1 (0.49) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL28339795 0.76 HPGD (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20492552 0.76 DRD2 (0.42) ALDH1A1MEN1KMT2ALMNAABCB1
SCHEMBL20492724 0.73 HPGD (0.49) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL20841157 0.72 HPGD (0.43) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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-3724222-A1 ANTIBODY CONSTRUCT-DRUG CONJUGATE FOR THE TREATMENT OF HEPATITIS Silverback Therapeutics, Inc. (US) 2020-10-21 EP disclosed
WO-2019118884-A1 ANTIBODY CONSTRUCT-DRUG CONJUGATE FOR THE TREATMENT OF HEPATITIS SILVERBACK THERAPEUTICS, INC. (US) 2019-06-20 WO disclosed