SCHEMBL45212

SCHEMBL45212

CC(=O)N1CCCN(C(=O)c2cccc(Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.45
BRAF P15056 5/20 0.43
RAF1 P04049 2/20 0.41
SLC34A2 O95436 1/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK2 O75116 3/20 0.41
GRK2 P25098 1/20 0.41
LMNA P02545 1/20 0.40
ENPP2 Q13822 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 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
SCHEMBL45213 0.92 SLC34A2 (0.48) BRAFRAF1SLC34A2POLBHPGD
SCHEMBL18471336 0.91 SLC34A2 (0.49) BRAFRAF1SLC34A2POLBHPGD
SCHEMBL46746 0.86 SLC34A2 (0.47) BRAFRAF1SLC34A2KDM4EALDH1A1
SCHEMBL15420846 0.85 SLC34A2 (0.48) BRAFRAF1SLC34A2KDM4EALDH1A1
SCHEMBL19595916 0.84 BRAF (0.48) BRAFRAF1SLC34A2KDM4EROCK2
SCHEMBL18482281 0.84 SLC34A2 (0.48) BRAFRAF1SLC34A2POLBHPGD
SCHEMBL15432502 0.83 SLC34A2 (0.52) BRAFRAF1SLC34A2KDM4EROCK2
SCHEMBL46720 0.83 SLC34A2 (0.42) BRAFRAF1SLC34A2KDM4EALDH1A1
SCHEMBL46687 0.82 SLC34A2 (0.48) BRAFRAF1SLC34A2POLBHPGD
SCHEMBL46684 0.82 SLC34A2 (0.47) BRAFRAF1SLC34A2POLBHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed