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SCHEMBL6656920

SCHEMBL6656920

CCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c1.CCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NC(C)C)n2)c1.CCNC(=O)n1nc(-c2cc(NC(=O)C(CC)CC)ccc2O)cc1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TSHR P16473 1/20 0.31
▸ NPY2R P49146 1/20 0.30
▸ LMNA P02545 1/20 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
SCHEMBL6616172 0.91 KMT2A (0.40) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6604966 0.87 KMT2A (0.42) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6619907 0.86 KMT2A (0.44) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6615986 0.86 KMT2A (0.40) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6617170 0.86 KMT2A (0.45) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6614370 0.86 KMT2A (0.45) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6609241 0.86 KMT2A (0.45) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6616769 0.85 KDM4E (0.37) KMT2AMEN1CYP2D6CYP2C19LMNA
SCHEMBL6617181 0.85 KDM4E (0.37) KMT2AMEN1CYP2D6CYP2C19LMNA
SCHEMBL6618835 0.84 KMT2A (0.37) KMT2AMEN1LMNA

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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