SCHEMBL31497995

SCHEMBL31497995

CCOC(=O)C(C)(C#N)CNc1cc(Br)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
GAA P10253 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 5/20 0.34
KMT2A Q03164 3/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.32
FBP1 P09467 2/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL22010482 0.84 GLA (0.35) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31033297 0.84 GLA (0.35) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31497989 0.83 KDM4E (0.45) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31497996 0.83 KDM4E (0.45) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31497987 0.83 KDM4E (0.45) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31497985 0.83 MAPT (0.35) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31497993 0.80 MAPT (0.33) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL31497991 0.80 MAPT (0.33) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL28612741 0.80 MAPT (0.36) GLAGAAHSD17B10KDM4EKMT2A
SCHEMBL22010910 0.79 CYP2C19 (0.40) GAAKMT2ARECQLMAPTPOLB

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-2025078209-A1 ANTIBIOTIC COMPOUNDS FOR TREATING BACTERIAL INFECTIONS DEBIOPHARM INTERNATIONAL S.A. (CH) 2025-04-17 WO disclosed