SCHEMBL31587902

SCHEMBL31587902

CS(=O)(=O)c1ccc(N2CCC[C@@H](F)C2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 5/20 0.54
GAA P10253 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL23850665 1.00 ALDH1A1 (0.55) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23850661 1.00 ALDH1A1 (0.55) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23850890 0.86 MAPT (0.58) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL31587398 0.86 LMNA (0.65) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL31587824 0.86 LMNA (0.65) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23850205 0.86 LMNA (0.65) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23850202 0.86 LMNA (0.65) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23850817 0.86 LMNA (0.65) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL23850918 0.82 LMNA (0.78) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL31587392 0.82 LMNA (0.78) ALDH1A1MAPTLMNAGAASMN1; SMN2

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-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed