SCHEMBL31589531

SCHEMBL31589531

CCS(=O)(=O)c1cc(C(=O)N(c2ccc(F)cc2C2CC2)c2ccc([N+](=O)[O-])c3nonc23)c(OC)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 1/20 0.39
▸ ALOX15 P16050 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ GSTP1 P09211 2/20 0.33

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
SCHEMBL31589960 0.88 HTR4 (0.49) HTR4MEN1KMT2AGSTP1GSTM2
SCHEMBL31589143 0.85 MEN1 (0.40) HTR4MAPK1MEN1KMT2AALDH1A1
SCHEMBL31589247 0.81 HTR4 (0.42) HTR4LMNADRD2MAPK1DRD3
SCHEMBL31589348 0.80 MEN1 (0.42) TSHRMEN1KMT2AALDH1A1GSTP1
SCHEMBL31589416 0.80 MEN1 (0.42) MAPK1MEN1KMT2AALDH1A1GSTP1
SCHEMBL31589894 0.80 IDO1 (0.36) HTR4MEN1KMT2AGSTP1GSTM2
SCHEMBL31589495 0.77 IDO1 (0.40) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL31590065 0.77 IDO1 (0.43) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL31589472 0.77 IDO1 (0.40) ALOX15MEN1KMT2AALDH1A1GSTP1
SCHEMBL31589525 0.77 MEN1 (0.40) MEN1KMT2AALDH1A1GSTP1GSTM2

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-120040371-A Compound capable of degrading MYC in targeted manner and application thereof 中国医学科学院医药生物技术研究所 2025-05-27 — — CN disclosed
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