SCHEMBL26923596

SCHEMBL26923596

NC(=O)c1nccnc1NCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ VNN1 O95497 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDR P35968 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ JAK3 P52333 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL26922526 0.87 AURKA (0.51) VNN1KDM4EHDAC1MEN1KMT2A
SCHEMBL26921354 0.85 KMT2A (0.52) VNN1KDM4EALDH1A1KDRHDAC3
SCHEMBL26922081 0.85 KDM4E (0.51) VNN1KDM4EKMT2AJAK3
SCHEMBL29834817 0.85 RPS6KB1 (0.55) ALDH1A1KDRFLT1
SCHEMBL26923799 0.85 RPS6KB1 (0.55) ALDH1A1KDRFLT1
SCHEMBL29834918 0.83 RPS6KB1 (0.55) VNN1KDRHDAC3HDAC1HDAC2
SCHEMBL26922246 0.83 RPS6KB1 (0.55) VNN1KDRHDAC3HDAC1HDAC2
SCHEMBL26922126 0.82 KDM4E (0.55) VNN1KDM4EALDH1A1JAK3EGFR
SCHEMBL26921256 0.82 ASPH (0.55) VNN1KDM4EKDRHDAC3HDAC1
SCHEMBL26921563 0.77 AURKA (0.55) CYP2C19HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240093191-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2024-03-21 — — US disclosed
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 — — EP disclosed
WO-2022169922-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-08-11 — — WO disclosed
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