SCHEMBL19595482

SCHEMBL19595482

Cc1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
DRD4 P21917 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.39
MAPK14 Q16539 2/20 0.38
ALOX12 P18054 1/20 0.38
WDR5 P61964 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
SCHEMBL46674 0.93 KDM5A (0.43) RAF1BRAFDRD4MEN1KMT2A
SCHEMBL46675 0.91 DRD4 (0.43) RAF1BRAFDRD4MEN1KMT2A
SCHEMBL15432681 0.88 SMN1; SMN2 (0.40) RAF1BRAFDRD4LMNAMAPT
SCHEMBL19595982 0.87 RAF1 (0.44) RAF1BRAFMEN1KMT2AALDH1A1
SCHEMBL18484260 0.87 MAPK14 (0.41) RAF1BRAFDRD4MEN1KMT2A
SCHEMBL15444422 0.86 BRAF (0.38) RAF1BRAFDRD4MAPTHTT
SCHEMBL46783 0.86 KDM1A (0.47) RAF1BRAFLMNAMAPT
SCHEMBL46836 0.85 CNR2 (0.42) DRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL6001362 0.85 SLC34A2 (0.48) RAF1BRAFMAPK14WDR5
SCHEMBL15432700 0.85 RAF1 (0.48) RAF1BRAFMAPK14

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed