SCHEMBL39814

SCHEMBL39814

NC(=O)c1ccnc(-c2cc(Cl)ccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4B O94953 1/20 0.50
▸ KDM5C P41229 1/20 0.50
▸ KDM5B Q9UGL1 1/20 0.50
▸ MAP4K4 O95819 3/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ IDO1 P14902 4/20 0.43
▸ KDM4C Q9H3R0 3/20 0.43
▸ JAK2 O60674 3/20 0.41
▸ GCK P35557 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL7038517 0.77 KDM5C (0.69) KDM4BKDM5CKDM5BMAP4K4PARP1
SCHEMBL23458742 0.75 KDM5C (0.48) KDM4BKDM5CKDM5BMAP4K4PARP1
SCHEMBL15754359 0.75 IDO1 (0.44) IDO1JAK2GCKALDH1A1
SCHEMBL23458760 0.73 KDM4B (0.47) KDM4BKDM5CKDM5BMAP4K4PARP1
SCHEMBL46849 0.73 PARP10 (0.49) KDM4BKDM5CKDM5BMAP4K4KDM4C
SCHEMBL25279052 0.73 KMO (0.61) KDM4BKDM5CKDM5BKDM4CKDM4E
SCHEMBL19596372 0.72 KMT2A (0.54) PARP1KDM4EALDH1A1
SCHEMBL23458438 0.72 KDM4B (0.46) KDM4BKDM5CKDM5BMAP4K4PARP1
SCHEMBL29933213 0.72 HDAC1 (0.58) KDM4BKDM5CKDM5BMAP4K4PARP1
SCHEMBL2403689 0.72 KDM4C (0.69) KDM5CKDM5BKDM4CKDM4E

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 2 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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 — — WO disclosed
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