SCHEMBL6603375

SCHEMBL6603375

CCCNC(=O)n1nc(-c2cc(NC(=O)C(CC)CC)ccc2O)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 3/20 0.37
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ TLK2 Q86UE8 1/20 0.33

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
SCHEMBL6604966 0.93 KMT2A (0.42) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6617950 0.90 LMNA (0.47) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6608027 0.89 KMT2A (0.39) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6620091 0.88 KMT2A (0.35) KMT2AMEN1CYP2D6CYP2C19ALDH1A1
SCHEMBL6619894 0.88 KMT2A (0.39) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6613489 0.86 MAPK14 (0.39) KMT2AMEN1CYP1A2GAACYP2C9
SCHEMBL6630940 0.86 KMT2A (0.41) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6618348 0.85 KDM5A (0.40) KMT2AMEN1CYP2D6CYP2C9ALDH1A1
SCHEMBL6616878 0.85 KMT2A (0.38) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6603399 0.85 ALDH1A1 (0.45) KMT2AMEN1CYP1A2CYP3A4GAA

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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