SCHEMBL31025909

SCHEMBL31025909

Cc1cc2c(C)c(C(=O)O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
NPY1R P25929 1/20 0.61
NPY2R P49146 1/20 0.61
KMT2A Q03164 1/20 0.61
TSHR P16473 4/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
FBP1 P09467 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL31025923 0.87 ALDH1A1 (0.59) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL31025930 0.85 ALDH1A1 (0.58) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL31025886 0.83 ALDH1A1 (0.56) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL9479012 0.81 MAPT (0.49) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL8985895 0.76 ALDH1A1 (0.78) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL6847834 0.76 ALDH1A1 (1.00) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL31025901 0.74 MEN1 (0.48) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL18332181 0.73 APEX1 (0.51) ALDH1A1TSHRMAPTKDM4EFBP1
SCHEMBL11784003 0.72 GPR35 (0.66) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL1252252 0.71 GPR35 (0.49) ALDH1A1MEN1POLBPKMNPY1R

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
EP-4660193-A1 INDOLE COMPOUND DECOMPOSING IKZF2, AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2025-12-10 EP disclosed
WO-2024162746-A1 INDOLE COMPOUND DECOMPOSING IKZF2, AND USE THEREOF 한국화학연구원 2024-08-08 WO disclosed