SCHEMBL30499573

SCHEMBL30499573

N#Cc1c(C#N)c(O)c2c([N+](=O)[O-])cccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ GPR35 Q9HC97 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ ERN1 O75460 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CTSB P07858 4/20 0.40
▸ HPGD P15428 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL591233 1.00 ALDH1A1 (0.50) ALDH1A1GPR35KDM4EMEN1GAA
SCHEMBL17603289 0.78 GPR35 (0.59) ALDH1A1GPR35KDM4EMEN1GAA
SCHEMBL9794635 0.77 CTSB (0.46) ALDH1A1GPR35KDM4EMEN1GAA
SCHEMBL618153 0.75 TDP1 (0.54) ALDH1A1GPR35MEN1KMT2ATDP1
SCHEMBL621936 0.75 GPR35 (0.56) ALDH1A1GPR35KDM4EMAPTTDP1
SCHEMBL32691850 0.71 GPR35 (0.64) ALDH1A1GPR35MEN1MAPTKMT2A
SCHEMBL14560963 0.71 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL16959740 0.71 TDP1 (0.45) ALDH1A1GPR35MAPTTDP1HPGD
SCHEMBL1344484 0.71 GPR35 (0.64) ALDH1A1GPR35MEN1MAPTKMT2A
SCHEMBL28027350 0.71 TDP1 (0.73) ALDH1A1GPR35KDM4EMEN1MAPT

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
CN-116097093-A Preparation of Nucleated RBC (NRBC) analogs for use as reference blood controls in automated blood analyzers 生物辐射实验室股份有限公司 2023-05-09 — — CN disclosed
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