SCHEMBL31330145

SCHEMBL31330145

CCOC(OC(=O)c1ccc([N+](=O)[O-])s1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.47
L3MBTL1 Q9Y468 8/20 0.47
ALDH1A1 P00352 8/20 0.47
POLB P06746 7/20 0.47
CASP3 P42574 9/20 0.46
SENP8 Q96LD8 9/20 0.46
SENP7 Q9BQF6 9/20 0.46
SENP6 Q9GZR1 9/20 0.46
KMT2A Q03164 3/20 0.45
TDP2 O95551 4/20 0.44
NSD2 O96028 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CASP6 P55212 6/20 0.44
CASP8 Q14790 6/20 0.44
CASP9 P55211 5/20 0.44
CASP7 P55210 4/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11460500 0.81 MITF (0.55) MITFL3MBTL1ALDH1A1POLBCASP3
SCHEMBL4684428 0.78 L3MBTL1 (0.69) L3MBTL1ALDH1A1POLBCASP3SENP8
SCHEMBL1483376 0.73 ALDH1A1 (0.55) L3MBTL1ALDH1A1POLBCASP3SENP8
SCHEMBL27938343 0.70 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1POLBCASP3SENP8
SCHEMBL20464026 0.69 L3MBTL1 (0.48) L3MBTL1ALDH1A1POLBCASP3SENP8
SCHEMBL11480640 0.69 ATM (0.55) MITFL3MBTL1ALDH1A1POLBCASP3
SCHEMBL1937600 0.67 LMNA (0.54) MITFL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL8114534 0.66 CASP3 (0.54) L3MBTL1ALDH1A1POLBCASP3SENP8
SCHEMBL13101035 0.65 LMNA (0.46) MITFL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL218867 0.65 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1POLBCASP3SENP8

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-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 CN disclosed