SCHEMBL8475690

SCHEMBL8475690

NCCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.59
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
FRK P42685 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
GSK3B P49841 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
MAPK13 O15264 6/20 0.52
MAPK12 P53778 6/20 0.52
MAPK11 Q15759 6/20 0.52
MAPK14 Q16539 6/20 0.52
NSD3 Q9BZ95 1/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL6844336 0.90 MAPK14 (0.64) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL5093475 0.89 MAP4K4 (0.62) PTGS2PRKD3MAP4K4FRKMAPK9
Butane SCHEMBL6597442 0.85 MAPK13 (0.59) PTGS2PRKD3MAP4K4FRKMAPK9
Butane SCHEMBL6598276 0.84 MAP4K4 (0.56) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL10615042 0.83 PTGS2 (0.59) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL8480092 0.83 PTGS2 (0.59) PTGS2PRKD3MAP4K4FRKMAPK9
Butane SCHEMBL6590914 0.82 MAP4K4 (0.55) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL10441604 0.80 MAP4K4 (0.63) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL14288452 0.80 MAP4K4 (0.86) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL5353854 0.80 PTGS2 (0.52) PTGS2PRKD3MAP4K4FRKMAPK9

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-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed
EP-0742208-A1 2-Ureido-benzamide derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed