SCHEMBL11356765

SCHEMBL11356765

COc1cc(N=Nc2ccccc2[N+](=O)[O-])c(OC)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ HTT P42858 1/20 0.47
▸ CCNT1 O60563 1/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ PLAU P00749 1/20 0.43

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
SCHEMBL11048851 0.84 HTT (0.58) ALDH1A1TDP1HTTL3MBTL1MAPT
SCHEMBL11048857 0.84 HTT (0.58) ALDH1A1TDP1HTTL3MBTL1MAPT
SCHEMBL1444740 0.81 ALDH1A1 (0.66) ALDH1A1TDP1CCNT1CCNB2CCNE2
SCHEMBL1444737 0.81 ALDH1A1 (0.66) ALDH1A1TDP1CCNT1CCNB2CCNE2
SCHEMBL11742779 0.80 ALDH1A1 (0.45) ALDH1A1TDP1HTTL3MBTL1MAPT
SCHEMBL716594 0.78 HTT (0.57) ALDH1A1TDP1HTTCCNE2CCNE1
SCHEMBL5354339 0.78 HTT (0.57) ALDH1A1TDP1HTTCCNE2CCNE1
SCHEMBL29546114 0.78 HTT (0.57) ALDH1A1TDP1HTTCCNE2CCNE1
SCHEMBL11209056 0.78 HTT (0.54) ALDH1A1TDP1HTTCCNT1CCNE2
SCHEMBL11209062 0.78 HTT (0.54) ALDH1A1TDP1HTTCCNT1CCNE2

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
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 — — EP disclosed
Send feedback