SCHEMBL25877503

SCHEMBL25877503

CC(C)(O)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
ATM Q13315 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
KEAP1 Q14145 1/20 0.52
DGAT1 O75907 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
KCNMA1 Q12791 2/20 0.43
MGAM O43451 2/20 0.42
AMY1A P0DUB6 2/20 0.42
GAA P10253 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
SCHEMBL7760804 0.84 SLC9A1 (0.55) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL23077724 0.81 POLB (0.52) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL8631035 0.81 MAPT (0.52) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL10607208 0.81 SLC9A1 (0.52) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL241996 0.80 SLC9A1 (0.51) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL13604172 0.80 GAA (0.50) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL5217736 0.80 SLC9A1 (0.47) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL24399500 0.80 SLC9A1 (0.47) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL13351503 0.78 SLC9A1 (0.48) SLC9A1ATMPOLBMAPK1KEAP1
SCHEMBL15444316 0.78 SLC9A1 (0.53) SLC9A1ATMPOLBMAPK1KEAP1

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-20230227628-A1 Flame retardant and stabilizer combined for use with thermoplastics LANXESS CORPORATION (US) 2023-07-20 US disclosed