SCHEMBL6492497

SCHEMBL6492497

C=CCON=C1C(=O)Nc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.38
IDO1 P14902 1/20 0.38
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NTRK1 P04629 2/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 0.35
MAPT P10636 2/20 0.35
KDR P35968 2/20 0.35
CDK5 Q00535 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
INSR P06213 1/20 0.35

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
SCHEMBL6668458 0.74 USP8 (0.36) USP8IDO1SMN1; SMN2GSK3BMEN1
SCHEMBL6668456 0.74 USP8 (0.36) USP8IDO1SMN1; SMN2GSK3BMEN1
SCHEMBL16144849 0.71 USP8 (0.48) USP8SMN1; SMN2GSK3BMEN1KMT2A
SCHEMBL29606493 0.66 CYP1A2 (0.50) CYP1A2SMN1; SMN2GSK3BMEN1KMT2A
SCHEMBL1554278 0.66 CYP1A2 (0.50) CYP1A2SMN1; SMN2GSK3BMEN1KMT2A
SCHEMBL7981109 0.66 SLC6A15 (0.35) USP8IDO1MEN1KMT2AALDH1A1
SCHEMBL5893999 0.63 MAPT (0.47) CYP1A2SMN1; SMN2GSK3BMEN1KMT2A
SCHEMBL6246167 0.61 ALDH1A1 (0.43) IDO1CYP1A2SMN1; SMN2NTRK1MAPT
SCHEMBL6246169 0.61 ALDH1A1 (0.43) IDO1CYP1A2SMN1; SMN2NTRK1MAPT
SCHEMBL10625937 0.61 LRRK2 (0.53) IDO1SMN1; SMN2MEN1KMT2AMAPT

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-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed