SCHEMBL5666758

SCHEMBL5666758

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2C)c2c(C)n(CC)c3ccccc23)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
MAPT P10636 7/20 0.39
HTT P42858 4/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MCL1 Q07820 1/20 0.39
S100B P04271 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NSD2 O96028 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RPS6KA2 Q15349 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HBB P68871 1/20 0.35

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
SCHEMBL5666766 0.91 CYP19A1 (0.42) CYP19A1MAPTHTTS100BALDH1A1
SCHEMBL5665371 0.89 KMT2A (0.43) CYP19A1MAPTHTTGAAPKM
SCHEMBL7181782 0.87 MAPT (0.38) CYP19A1MAPTHTTGAAPKM
SCHEMBL5664993 0.83 KDM4E (0.46) MAPTHTTS100BMEN1KMT2A
SCHEMBL7191366 0.80 KDM4E (0.40) CYP19A1MAPTHTTGAAALDH1A1
SCHEMBL7188094 0.80 SMN1; SMN2 (0.36) CYP19A1MAPTHTTALDH1A1MEN1
SCHEMBL5665378 0.80 KMT2A (0.43) CYP19A1MAPTGAAPKMALDH1A1
SCHEMBL10529149 0.78 ALDH1A1 (0.44) CYP19A1MAPTHTTALDH1A1MEN1
SCHEMBL9657046 0.77 ALDH1A1 (0.52) CYP19A1MAPTHTTALDH1A1MEN1
SCHEMBL10478403 0.77 MAPT (0.43) MAPTHTTGAAPKMMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed