SCHEMBL28054877

SCHEMBL28054877

Cc1nc2cccc(OCC3CCCNC3)c2c(N)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
IRAK4 Q9NWZ3 7/20 0.42
DCPS Q96C86 2/20 0.41
DHFR P00374 1/20 0.41
IKBKB O14920 3/20 0.40
CHUK O15111 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
SCN9A Q15858 1/20 0.40
CHEK2 O96017 1/20 0.39

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
SCHEMBL619089 0.90 ACP1 (0.41) PIM1PIM2IRAK4DCPSDHFR
SCHEMBL618750 0.89 DCPS (0.48) DCPSDHFR
SCHEMBL621384 0.89 DCPS (0.48) DCPSDHFR
SCHEMBL619531 0.88 DCPS (0.47) DCPSDHFR
Hydrochloric Acid SCHEMBL619258 0.88 DCPS (0.47) DCPSDHFR
SCHEMBL618000 0.85 CHRNB2 (0.52) PIM1PIM2IRAK4F2PLG
SCHEMBL10257366 0.85 CHRNB2 (0.52) PIM1PIM2IRAK4F2PLG
SCHEMBL10257173 0.85 CHRNB2 (0.52) PIM1PIM2IRAK4F2PLG
SCHEMBL2514003 0.83 CHEK2 (0.40) PIM1PIM2IRAK4IKBKBCHUK
SCHEMBL21281312 0.82 DCPS (0.40) DCPSDHFR

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
CN-102933081-B Sweet flavor modifier SENOMYX, INC. (US) 2016-04-13 CN disclosed