SCHEMBL8653264

SCHEMBL8653264

COC(=O)c1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-].NC(N)=NC(=O)c1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.41
NOTUM Q6P988 2/20 0.41
CFTR P13569 1/20 0.37
SOS1 Q07889 1/20 0.36
KCNH2 Q12809 2/20 0.35
SIRT6 Q8N6T7 1/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
CYP3A4 P08684 5/20 0.34
CYP1A2 P05177 4/20 0.34
ADORA3 P0DMS8 4/20 0.34
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 4/20 0.34
TSHR P16473 3/20 0.34
AR P10275 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL9018731 0.91 SLC9A1 (0.42) SLC9A1KCNH2CYP3A4CYP1A2ADORA3
SCHEMBL24525434 0.89 NOTUM (0.50) NOTUMCFTRSOS1KCNH2SIRT6
SCHEMBL8610045 0.87 SLC9A1 (0.48) SLC9A1CFTRKCNH2SIRT6SMN1; SMN2
SCHEMBL8608691 0.85 SLC9A1 (0.40) SLC9A1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL8613931 0.83 NOTUM (0.47) SLC9A1NOTUMCFTRSOS1KCNH2
SCHEMBL8610545 0.83 NOTUM (0.47) SLC9A1NOTUMCFTRSOS1KCNH2
SCHEMBL8611003 0.81 NOTUM (0.48) SLC9A1NOTUMCFTRSOS1KCNH2
SCHEMBL8612597 0.80 CFTR (0.48) SLC9A1CFTRSIRT6CYP3A4CYP1A2
SCHEMBL8612363 0.79 NOTUM (0.43) SLC9A1NOTUMCFTRSOS1KCNH2
SCHEMBL8609014 0.79 NOTUM (0.43) SLC9A1NOTUMCFTRSOS1KCNH2

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-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed