SCHEMBL40129

SCHEMBL40129

NC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)O)ccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 1/20 0.46
KDM4C Q9H3R0 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
KDM5A P29375 1/20 0.43
SERPINE1 P05121 2/20 0.43
HPSE Q9Y251 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL19596026 0.88 HDAC1 (0.43) ALDH1A1MEN1KMT2AHDAC1SERPINE1
SCHEMBL6000465 0.85 HDAC1 (0.40) ALDH1A1MEN1KMT2AHDAC1NPC1
SCHEMBL19595685 0.83 SLC34A2 (0.46) MEN1KMT2AHDAC1SERPINE1NPC1
SCHEMBL45046 0.82 LMNA (0.51) ALDH1A1MEN1KMT2AGAAKDM4C
SCHEMBL45047 0.82 LMNA (0.51) ALDH1A1MEN1KMT2AGAAKDM4C
SCHEMBL18482995 0.82 SIRT2 (0.38) MEN1KMT2AHDAC1SERPINE1NPC1
SCHEMBL19595388 0.81 MAPT (0.53) ALDH1A1KDM4EMEN1KMT2AHDAC1
SCHEMBL39860 0.81 SLC34A2 (0.53) KDM4EMEN1KMT2AGAAKDM4C
SCHEMBL18482990 0.81 NPC1 (0.37) ALDH1A1MEN1KMT2AHDAC1NPC1
SCHEMBL19596051 0.81 SLC34A2 (0.44) MEN1KMT2AHDAC1NPC1RAB9A

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