SCHEMBL9018701

SCHEMBL9018701

NC(N)=NC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
KAT6A Q92794 1/20 0.44
CTSS P25774 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
P2RX7 Q99572 1/20 0.41
HTR2B P41595 2/20 0.41
HTR7 P34969 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
Hydrochloric Acid SCHEMBL8393799 0.98 SLC9A1 (0.51) SLC9A1KAT6ACTSSTAS1R3TAS1R1
SCHEMBL8609816 0.89 SLC9A1 (0.45) SLC9A1KAT6ACTSSTAS1R3TAS1R1
SCHEMBL9018664 0.84 SLC9A1 (0.56) SLC9A1HTR2BHTR7LMNAGAA
Hydrochloric Acid SCHEMBL8393907 0.83 SLC9A1 (0.54) SLC9A1HTR2BHTR7CNR2LMNA
SCHEMBL477444 0.81 KAT6A (0.49) KAT6ACTSSTAS1R3TAS1R1TAS1R2
SCHEMBL9018684 0.77 HTR2B (0.39) SLC9A1P2RX7HTR2BHTR7GAA
SCHEMBL28188796 0.77 KAT6A (0.51) KAT6ACTSSTAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL8390861 0.76 SLC9A1 (0.51) SLC9A1HTR2BHTR7
SCHEMBL9560994 0.75 KAT6A (0.50) KAT6ACTSSTAS1R3TAS1R1TAS1R2
SCHEMBL398909 0.75 KAT6A (0.54) KAT6ACTSSTAS1R3TAS1R1TAS1R2

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