SCHEMBL5999946

SCHEMBL5999946

CN(CCN1CCNCC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCC3(C)C=C(C(F)(F)F)C=CC3)ccn2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.34
SMYD2 Q9NRG4 3/20 0.32
CHRM3 P20309 3/20 0.32
SCN9A Q15858 2/20 0.32
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
MAPK14 Q16539 2/20 0.32
EGFR P00533 2/20 0.32
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
PRKD1 Q15139 2/20 0.30

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
SCHEMBL39823 0.84 SLC34A2 (0.46) SLC34A2CHRM3LCKKDRMAPK14
SCHEMBL40118 0.83 CHRM3 (0.43) SLC34A2SMYD2CHRM3KDM1AHDAC1
SCHEMBL40112 0.80 SLC34A2 (0.48) SLC34A2SMYD2LCKKDRMAPK14
SCHEMBL2732066 0.78 CHRM3 (0.44) SLC34A2CHRM3KDM1AHDAC1RAF1
SCHEMBL40137 0.78 CHRM3 (0.43) SLC34A2SMYD2CHRM3RAF1BRAF
SCHEMBL46678 0.76 SLC34A2 (0.48) SLC34A2CHRM3RAF1BRAF
SCHEMBL15432568 0.76 SLC34A2 (0.45) SLC34A2SMYD2LCKKDRMAPK14
SCHEMBL46984 0.76 KDM1A (0.42) SLC34A2SMYD2KDM1AHDAC1
SCHEMBL39969 0.75 SLC34A2 (0.45) SLC34A2SMYD2KDM1AHDAC1RAF1
SCHEMBL46529 0.74 SLC34A2 (0.46) SLC34A2SMYD2KDM1AHDAC1RAF1

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
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed