SCHEMBL7148386

SCHEMBL7148386

Cc1nn(-c2ccccc2)cc1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.55
BRAF P15056 1/20 0.54
MAPK14 Q16539 1/20 0.54
PTGS2 P35354 6/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
DYRK1A Q13627 1/20 0.44
NPC1 O15118 2/20 0.42

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
SCHEMBL14301058 0.90 GRM4 (0.56) GRM4BRAFMAPK14PTGS2ALDH1A1
SCHEMBL17477104 0.83 GAA (0.50) GRM4BRAFMAPK14ALDH1A1KMT2A
SCHEMBL17619706 0.80 PTGS2 (0.51) BRAFMAPK14PTGS2ALDH1A1SMN1; SMN2
SCHEMBL6098497 0.75 GRM4 (0.44) GRM4BRAFMAPK14PTGS2ALDH1A1
SCHEMBL5829487 0.75 ALDH1A1 (0.51) BRAFMAPK14PTGS2ALDH1A1SMN1; SMN2
SCHEMBL12019071 0.74 GAA (0.48) GRM4PTGS2ALDH1A1KMT2AL3MBTL1
SCHEMBL17619710 0.74 PTGS2 (0.54) BRAFMAPK14PTGS2ALDH1A1SMN1; SMN2
SCHEMBL5341410 0.72 RAB9A (0.50) GRM4PTGS2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7249032 0.72 GRM4 (0.57) GRM4ALDH1A1HPGDKDM4EMAPK1
Ammonia Solution, Strong SCHEMBL5256823 0.72 MAPK13 (0.54) BRAFMAPK14ALDH1A1MAPK1DYRK1A

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-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed