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SCHEMBL2649974

SCHEMBL2649974

CS(=O)(=O)C(N)c1nc(NC(=O)CC(=O)Nc2ccccc2C(=O)C2CCCC2)sc1Cl.CSc1sc(NC(=O)CC(=O)Nc2ccccc2C(=O)C2CCCC2)nc1CNS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ RORC P51449 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL2648840 0.94 RORC (0.30) RORC
SCHEMBL2649976 0.90 RORC (0.36) KDM4ERORCRAB9ANPC1SMN1; SMN2
SCHEMBL1343136 0.89 RORC (0.39) KDM4ERORCRAB9ANPC1KMT2A
SCHEMBL1343069 0.89 RORC (0.39) KDM4ERORCRAB9ANPC1KMT2A
SCHEMBL1343068 0.87 RORC (0.38) KDM4ERORCRAB9ANPC1KMT2A
SCHEMBL1343137 0.85 RORC (0.39) KDM4ERORCRAB9ANPC1KMT2A
SCHEMBL2648842 0.84 RORC (0.33) KDM4ERORCRAB9ANPC1KMT2A
SCHEMBL1340537 0.82 RORC (0.36) KDM4ERORCKMT2ASMN1; SMN2TP53
SCHEMBL1343411 0.82 ALDH1A1 (0.37) KDM4ERORCRAB9ANPC1KMT2A
SCHEMBL1342179 0.81 CLK1 (0.37) KDM4ERORCRAB9ANPC1KMT2A

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — WO disclosed