SCHEMBL9750427

SCHEMBL9750427

COc1ccccc1C(=CC(C=C(c1ccc(N(C)C)cc1)c1ccccc1OC)c1ccc2ccccc2c1C(N)=O)c1ccc(N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
IDO1 P14902 2/20 0.37
NCEH1 Q6PIU2 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9750061 0.88 CNR2 (0.42) MAPTLMNAHTTNPSR1MEN1
SCHEMBL9839395 0.87 MAOB (0.40) MAPTLMNAHTTNPSR1MEN1
SCHEMBL9749664 0.77 KMT2A (0.41) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL9749968 0.72 MAPT (0.47) MAPTLMNAHTTNPSR1MEN1
SCHEMBL9750078 0.68 MAPT (0.39) MAPTLMNAHTTNPSR1MEN1
SCHEMBL9750171 0.68 MAPT (0.41) MAPTLMNAHTTNPSR1MEN1
SCHEMBL9749975 0.68 ALDH1A1 (0.47) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL9750036 0.67 MAPT (0.44) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7601515 0.67 MAPT (0.69) MAPTLMNAHTTNPSR1MEN1
SCHEMBL9750173 0.67 MAPT (0.46) MAPTLMNAHTTNPSR1MEN1

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
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed