SCHEMBL29600935

SCHEMBL29600935

O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.80
▸ MAOB P27338 3/20 0.80
▸ TGM2 P21980 1/20 0.65
▸ LMNA P02545 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ CYP1B1 Q16678 2/20 0.63
▸ PTPN1 P18031 1/20 0.62
▸ PTPN12 Q05209 1/20 0.62
▸ PTPN22 Q9Y2R2 1/20 0.62
▸ HSP90AA1 P07900 3/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ MITF O75030 2/20 0.61
▸ RECQL P46063 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ HSPD1 P10809 2/20 0.60
▸ HSPE1 P61604 2/20 0.60
▸ MAOA P21397 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59

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
SCHEMBL9779399 1.00 MAPT (0.80) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL9779404 1.00 MAPT (0.80) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL30384809 1.00 MAPT (0.80) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL3359803 0.89 MAPT (1.00) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL3359800 0.89 MAPT (1.00) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL9879552 0.88 MAOB (0.78) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL10375223 0.88 MAOB (0.78) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL15807305 0.88 MAPT (0.78) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL1073092 0.87 MAPT (0.86) MAPTMAOBTGM2LMNAALDH1A1
SCHEMBL31441210 0.87 MAPT (0.86) MAPTMAOBTGM2LMNAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 — — WO disclosed
CN-116217461-B Chalcone derivative containing indole structure and preparation method and application thereof 贵州大学 2024-10-18 — — CN disclosed
CN-117343024-A Chalcone derivative containing benzoxazole structure and preparation method and application thereof 贵州大学 2024-01-05 — — CN disclosed
CN-116217461-A Chalcone derivative containing indole structure and preparation method and application thereof 贵州大学 2023-06-06 — — CN disclosed
CN-109251186-B Chalcone derivative containing benzothiazole, and preparation method and application thereof 贵州大学 2022-04-19 — — CN disclosed
Send feedback