SCHEMBL10656553

SCHEMBL10656553

NC1=CC([N+](=O)[O-])=CCC1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL11102852 0.78
SCHEMBL8369703 0.78
SCHEMBL5306651 0.71
SCHEMBL9743685 0.66
SCHEMBL13874453 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4600069 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7684345 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12872255 0.64 POLB (0.33)
SCHEMBL7701653 0.64 GSK3A (0.32)
SCHEMBL12900308 0.62 MEN1 (0.31) ALDH1A1

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
EP-0167875-B1 PROCESS FOR THE PREPARATION OF PURE 2-ETHYLAMINO-4-NITRO-1-ALKOXY-BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-01 EP disclosed
EP-0177978-A2 Naphthol amine derivatives BAYER AG (DE) 1986-04-16 EP disclosed
EP-0055808-B1 MIXTURES OF METAL-COMPLEX DYESTUFFS BASF Aktiengesellschaft (DE) 1985-01-16 EP disclosed
EP-0097289-A2 Azo dyestuffs BAYER AG (DE) 1984-01-04 EP disclosed
EP-0055808-A2 Mixtures of metal-complex dyestuffs BASF Aktiengesellschaft (DE) 1982-07-14 EP disclosed