SCHEMBL31498960

SCHEMBL31498960

CCc1n[nH]c(CC(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
HCAR2 Q8TDS4 2/20 0.32
SIRT1 Q96EB6 1/20 0.31
P2RX7 Q99572 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
SCHEMBL16832074 0.82 HCAR2 (0.34) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL31498921 0.81 MAPT (0.38) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL1527741 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL30223609 0.75 MAPT (0.48) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL9760940 0.74 HTT (0.35) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL3575824 0.73 ALDH1A1 (0.39) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL27848584 0.72 MAPT (0.35) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL6363165 0.72 HCAR2 (0.44) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL16832298 0.72 MAPT (0.46) SMN1; SMN2MAPTALDH1A1CASP7CASP6
SCHEMBL23580730 0.70 DYRK1A (0.43) SMN1; SMN2MAPTALDH1A1CASP7CASP6

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
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 CN disclosed