SCHEMBL9776305

SCHEMBL9776305

CCN(CC)CCNc1ccc(N2CCOC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 10/20 0.41
▸ PKM P14618 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPY1R P25929 1/20 0.38

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
SCHEMBL9776285 0.86 MAPT (0.50) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9776302 0.84 MAPT (0.52) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9776298 0.84 MAPT (0.49) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9776267 0.83 KMT2A (0.62) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9776288 0.82 MAPT (0.56) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9776287 0.80 MAPT (0.47) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9776275 0.76 MAPT (0.40) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL11316660 0.75 ALDH1A1 (0.53) HDAC1POLBALDH1A1NPSR1MAPT
SCHEMBL19308367 0.74 CMA1 (0.44) KMT2AALDH1A1NPSR1MAPTPKM
SCHEMBL1594633 0.74 MAPT (0.56) HDAC1POLBALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041143-A N,N'-disubstituted nitro-para-phenylenediamines, and dyeing compositions containing the same L'OREAL (FR) 1991-08-20 — — US disclosed
US-4910341-A Reacting chloroethyl chloroformate with 4-halo-3-nitroaniline in presence of a base; cyclization; alkaline hydrolysis L'OREAL (FR) 1990-03-20 — — US disclosed
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