SCHEMBL18059152

SCHEMBL18059152

CN(CCN1CCN(S(C)(=O)=O)CC1)Cc1cccc(Cc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
BRAF P15056 5/20 0.38
DDR2 Q16832 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
SMYD2 Q9NRG4 2/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
ROCK2 O75116 2/20 0.35
GRK2 P25098 1/20 0.35
SLC34A2 O95436 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
RAF1 P04049 1/20 0.35

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
SCHEMBL46807 0.89 SLC34A2 (0.41) KDM4EBRAFDDR2HRH4SMYD2
SCHEMBL15432568 0.87 SLC34A2 (0.45) KDM4EBRAFHRH4SMYD2ROCK2
SCHEMBL46676 0.83 SLC34A2 (0.43) KDM4EBRAFDDR2HRH4SMYD2
SCHEMBL19579955 0.83 SLC34A2 (0.46) KDM4EBRAFHRH4SMYD2ROCK2
SCHEMBL40112 0.81 SLC34A2 (0.48) KDM4EBRAFHRH4SMYD2ROCK2
SCHEMBL40133 0.81 SLC34A2 (0.41) KDM4EBRAFDDR2HRH4SMYD2
SCHEMBL46466 0.81 SLC34A2 (0.41) KDM4EBRAFDDR2HRH4SMYD2
SCHEMBL16804643 0.81 BRAF (0.43) KDM4EBRAFHRH4ROCK2SLC34A2
SCHEMBL40137 0.81 CHRM3 (0.43) KDM4EBRAFDDR2HRH4SMYD2
SCHEMBL18059165 0.79 CHRM3 (0.45) KDM4EBRAFHRH4SMYD2ROCK2

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-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed