SCHEMBL30586325

SCHEMBL30586325

CSc1cccnc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
GAA P10253 4/20 0.40
PDE10A Q9Y233 1/20 0.40
THRB P10828 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ESR2 Q92731 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL24930524 1.00 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1137437 0.85 MAPT (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL21802324 0.81 MAPT (0.41) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL30911319 0.81 MAPT (0.41) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15616481 0.78 PDE5A (0.42) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1329600 0.77 MEN1 (0.56) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5643188 0.76 PDE10A (0.48) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12967781 0.76 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1330570 0.75 MAPT (0.52) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8600733 0.75 PTGS2 (0.42) ALDH1A1MAPTLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119317622-A Compounds useful as TYK2 inhibitors, preparation method and application thereof in medicine 上海致根医药科技有限公司 2025-01-14 CN disclosed
CN-116693449-A Compounds useful as TYK2 inhibitors, preparation method and application thereof in medicine 上海致根医药科技有限公司 2023-09-05 CN disclosed