SCHEMBL8974372

SCHEMBL8974372

FC(F)(F)n1nnc2ccccc21.[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
CYP4Z1 Q86W10 1/20 0.48
DGAT1 O75907 1/20 0.44
PTPN1 P18031 6/20 0.44
PTPRC P08575 5/20 0.44
PTPN2 P17706 4/20 0.44
GRM2 Q14416 1/20 0.42
RAB9A P51151 1/20 0.41
KCNMA1 Q12791 1/20 0.41

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
SCHEMBL5437514 0.98 SLC9A1 (0.50) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL20654566 0.79 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL17012578 0.78 POLB (0.47) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL6905682 0.78 SLC9A1 (0.50) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL7760804 0.78 SLC9A1 (0.55) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL23077724 0.74 POLB (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL21220894 0.74 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL25877503 0.74 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL10607208 0.74 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL8631035 0.74 MAPT (0.52) SLC9A1POLBMAPK1ATMKEAP1

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-5573708-A ACID-SUBSTITUTED PERFLUOROALKYLBENZENES UNION CHEMICAL CO., LTD. (JP) 1996-11-12 US claimed
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 EP claimed