SCHEMBL11061731

SCHEMBL11061731

CCN(CC)c1cccc(N(O)C(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
CYP3A4 P08684 1/20 0.55
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPT P10636 8/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
TSHR P16473 4/20 0.43
NOX1 Q9Y5S8 3/20 0.43
MAPK1 P28482 3/20 0.43
USP2 O75604 2/20 0.43
MCL1 Q07820 2/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3285288 0.87 CRHBP (0.44) ALDH1A1CRHBPCRHR2KMT2AMEN1
SCHEMBL1574035 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL17671204 0.78 CES2 (0.44) ALDH1A1CRHBPCRHR2KMT2AMEN1
SCHEMBL11418300 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4CRHBPCRHR2MAPT
SCHEMBL11421960 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4CRHBPCRHR2MAPT
SCHEMBL11739758 0.76 MAPT (0.63) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL10836221 0.76 MEN1 (0.53) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL9685916 0.75 S100B (0.49) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL11414890 0.74 CRHBP (0.48) ALDH1A1CYP3A4CRHBPCRHR2MAPT
SCHEMBL2742811 0.74 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTKMT2AMEN1

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-4439513-A Color photographic light-sensitive material with naphthol redox dye releaser FUJI PHOTO FILM CO., LTD. (JP) 1984-03-27 US disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed