SCHEMBL31497993

SCHEMBL31497993

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
FBP1 P09467 3/20 0.33
GAA P10253 4/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31
PTGER4 P35408 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31497991 1.00 MAPT (0.33) MAPTKMT2APOLBGLAFBP1
SCHEMBL31497985 0.89 MAPT (0.35) MAPTKMT2APOLBGLAFBP1
SCHEMBL31033297 0.82 GLA (0.35) MAPTKMT2APOLBGLAFBP1
SCHEMBL22010482 0.82 GLA (0.35) MAPTKMT2APOLBGLAFBP1
SCHEMBL31497995 0.80 GLA (0.40) MAPTKMT2APOLBGLAFBP1
SCHEMBL28612741 0.78 MAPT (0.36) MAPTKMT2APOLBGLAFBP1
SCHEMBL22010910 0.77 CYP2C19 (0.40) MAPTKMT2APOLBGAAALDH1A1
SCHEMBL21963737 0.76 CYP2C19 (0.39) MAPTKMT2APOLBGAAALDH1A1
SCHEMBL31033301 0.74 POLB (0.33) MAPTKMT2APOLBGAALMNA
SCHEMBL31033290 0.74 GLA (0.35) MAPTKMT2APOLBGLAFBP1

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