SCHEMBL9018664

SCHEMBL9018664

NC(N)=NC(=O)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 13/20 0.56
HTR2B P41595 2/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8613415 0.89 SLC9A1 (0.47) SLC9A1CYP2C9CYP2C19
SCHEMBL9018701 0.84 SLC9A1 (0.52) SLC9A1HTR2BHTR7LMNAGAA
Hydrochloric Acid SCHEMBL8393907 0.83 SLC9A1 (0.54) SLC9A1HTR2BHTR7LMNAGAA
Hydrochloric Acid SCHEMBL8393799 0.83 SLC9A1 (0.51) SLC9A1HTR2BHTR7LMNAGAA
SCHEMBL30554614 0.81 PARP1 (0.47) LMNAGAA
SCHEMBL634076 0.81 PARP1 (0.47) LMNAGAA
Hydrochloric Acid SCHEMBL7069187 0.80 PARP1 (0.46) LMNAGAA
SCHEMBL23041398 0.77 LMNA (0.48) LMNAGAA
SCHEMBL1195140 0.75 TAS2R14 (0.51) LMNAGAA
SCHEMBL7399514 0.75 LMNA (0.47) LMNAGAA

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
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed