SCHEMBL29684331

SCHEMBL29684331

COCCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
G6PD P11413 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL29683974 0.84 IRAK4 (0.51) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL28844977 0.83 KMT2A (0.53) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29684244 0.83 IRAK4 (0.50) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29684653 0.80 POLB (0.48) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29684640 0.80 IRAK4 (0.48) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29684141 0.79 KMT2A (0.47) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29684320 0.79 IRAK4 (0.47) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL29684509 0.78 TP53 (0.47) MEN1KMT2AHTTALDH1A1IRAK4
SCHEMBL29684683 0.78 IRAK4 (0.46) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL28844941 0.77 KCNMA1 (0.60) MEN1KMT2ALMNASMN1; SMN2HTT

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-114763346-B Compounds for inducing cartilage formation and application thereof 华东师范大学 2025-06-10 CN disclosed
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN disclosed