SCHEMBL31506366

SCHEMBL31506366

CC(C)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HIF1A Q16665 1/20 0.56
GAA P10253 2/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
CYP3A4 P08684 2/20 0.43
GPR35 Q9HC97 1/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3641932 1.00 ALDH1A1 (0.56) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL16960112 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL5693765 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL30309507 0.85 ALDH1A1 (0.52) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL13101021 0.85 ALDH1A1 (0.52) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL29744802 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL1030342 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL18867007 0.83 ALDH1A1 (0.51) ALDH1A1HIF1AGAATSHRTDP1
SCHEMBL27603190 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AGAANPSR1GPR35
SCHEMBL4322153 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AGAATSHRTDP1

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
WO-2025101652-A1 SELECTIVE MAMMALIAN STERILE 20-LIKE KINASE 1 (MST1) MODULATOR COMPOUNDS AS THERAPEUTICS FOR DIABETES AND LIVER REGENERATION THE SCRIPPS RESEARCH INSTITUTE (US) 2025-05-15 WO disclosed