SCHEMBL31355128

SCHEMBL31355128

ON=Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
HPGD P15428 1/20 1.00
SENP7 Q9BQF6 4/20 0.58
CYP2A6 P11509 1/20 0.58
IMPDH2 P12268 1/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
PTGS2 P35354 3/20 0.57
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 2/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55

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
SCHEMBL2189141 1.00 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL5167169 1.00 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL2189137 1.00 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL15930268 0.84 HTT (0.72) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL3349880 0.84 HTT (0.72) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL1643902 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL13622497 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL1643903 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL29786168 0.81 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
Water SCHEMBL9669666 0.79 HTT (0.66) HTTHPGDSENP7CYP2A6IMPDH2

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-2025026555-A1 ALDOXIMES AS NO DONORS, AND THEIR USES AS PLANT ARCHITECTURE MODIFIERS AND IN THERAPY Universidad Pública de Navarra (ES) 2025-02-06 WO disclosed