SCHEMBL6855217

SCHEMBL6855217

CN(C)c1ccc2c(c1)C(=O)c1ccccc1C2N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PTK2B Q14289 1/20 0.45
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 3/20 0.39
NSD2 O96028 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
EGFR P00533 1/20 0.39
EDNRB P24530 8/20 0.38
EDNRA P25101 8/20 0.38
HPGD P15428 2/20 0.36
GALR2 O43603 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6155884 0.80 GPR3 (0.68) GPR3ALDH1A1L3MBTL1MEN1RAB9A
SCHEMBL3091326 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1MEN1RAB9AKMT2A
SCHEMBL4129142 0.74 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1RAB9AKMT2A
SCHEMBL5528867 0.74 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1RAB9AKMT2A
SCHEMBL1509312 0.73 GPR3 (1.00) GPR3MEN1KMT2ACYP1A2SLC22A2
SCHEMBL28709520 0.71 GPR3 (0.95) GPR3MEN1KMT2ASLC22A2SLC22A3
SCHEMBL9769393 0.69 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1RAB9AKMT2A
SCHEMBL10926086 0.69 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1RAB9AKMT2A
SCHEMBL9514250 0.69 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1RAB9AKMT2A
SCHEMBL12844048 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed
EP-1173519-B1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed
EP-1173519-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
WO-2000064986-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL HEINZ (DE) 2000-11-02 WO disclosed