SCHEMBL29182467

SCHEMBL29182467

O=C(O)N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
CRHBP P24387 3/20 0.57
CRHR2 Q13324 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
TLR9 Q9NR96 1/20 0.57
TDP1 Q9NUW8 2/20 0.55
CES1 P23141 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CES2 O00748 1/20 0.50
SRD5A2 P31213 1/20 0.50
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL21247872 0.94 ALDH1A1 (0.67) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL9264299 0.89 L3MBTL1 (0.56) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL9159620 0.88 SMN1; SMN2 (0.53) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL1970978 0.87 ALDH1A1 (0.45) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL17766705 0.87 MMP1 (0.47) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL4517966 0.85 L3MBTL1 (0.51) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL28171537 0.84 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2MEN1KMT2A
Cystamine SCHEMBL11241904 0.84 ALDH1A1 (0.42) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL25214800 0.83 ALDH1A1 (0.41) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL9273639 0.83 MAPT (0.52) ALDH1A1CRHBPCRHR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701666-A1 ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Iksuda Therapeutics Limited (GB) 2026-03-04 EP disclosed
WO-2024224112-A1 ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Iksuda Therapeutics Limited (GB) 2024-10-31 WO disclosed
CN-117561054-A Compounds and methods for treating alcohol use disorders 索菲洛许奈制药有限公司 2024-02-13 CN disclosed