SCHEMBL29635925

SCHEMBL29635925

O=Cc1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ NOD2 Q9HC29 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ HSP90AA1 P07900 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ERN1 O75460 15/20 0.55
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47

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
SCHEMBL25962627 1.00 KDM4E (0.61) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL2557276 0.88 KDM4E (0.55) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL2557277 0.88 KDM4E (0.55) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL16798067 0.84 KDM4E (0.63) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL6951249 0.81 MEN1 (0.50) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL9131609 0.80 ERN1 (0.59) ERN1
SCHEMBL10477862 0.80 MEN1 (0.44) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL27493423 0.79 PTPN1 (0.48) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL10881818 0.77 GPR35 (0.59) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL7359628 0.77 PDE4A (0.47) MEN1ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161646-A2 COMPOSITIONS AND METHODS FOR TREATING VIRUS INFECTION Chan Zuckerberg Biohub, Inc. (US) 2023-04-12 — — EP claimed
EP-4161646-A2 COMPOSITIONS AND METHODS FOR TREATING VIRUS INFECTION Chan Zuckerberg Biohub, Inc. (US) 2023-04-12 — — EP disclosed
CN-114404396-B Application of compound in preparation of antithrombotic drug 广西医科大学第一附属医院 2023-03-07 — — CN disclosed
CN-114404396-B Application of compound in preparation of antithrombotic drug 广西医科大学第一附属医院 2023-03-07 — — CN disclosed
CN-114404396-A Application of compound in preparation of antithrombotic drug 广西医科大学第一附属医院 2022-04-29 — — CN disclosed
CN-114404396-A Application of compound in preparation of antithrombotic drug 广西医科大学第一附属医院 2022-04-29 — — CN disclosed
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