SCHEMBL7985498

SCHEMBL7985498

CCc1ccccc1Nc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPK10 P53779 1/20 0.66
GFER P55789 1/20 0.66
PTK2 Q05397 1/20 0.48
GRM5 P41594 1/20 0.47
MAPK14 Q16539 1/20 0.46
PTGS1 P23219 1/20 0.46
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7985486 0.86 MAPK10 (0.61) MEN1KMT2AMAPK10GFERGRM5
SCHEMBL3279571 0.80 MEN1 (1.00) MEN1KMT2AMAPK10GFERGRM5
SCHEMBL11443309 0.80 MEN1 (0.58) MEN1KMT2AMAPK10GFERPTGS1
SCHEMBL1548694 0.78 ALDH1A1 (0.54) MEN1KMT2APTGS1GAARAB9A
SCHEMBL6952759 0.78 NPSR1 (0.67) MEN1KMT2AGAANPC1RAB9A
SCHEMBL5393403 0.76 MAPK14 (0.50) MEN1KMT2APTK2MAPK14PTGS1
SCHEMBL2583677 0.76 MEN1 (0.51) MEN1KMT2AMAPK10GFERGAA
SCHEMBL31220877 0.76 MAPK10 (0.73) MEN1KMT2AMAPK10GFERPTK2
SCHEMBL7941542 0.76 MAPK10 (0.73) MEN1KMT2AMAPK10GFERPTK2
SCHEMBL3265735 0.76 MEN1 (0.80) MEN1KMT2AMAPK10GFERGRM5

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-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed