SCHEMBL6683269

SCHEMBL6683269

C=CCNC(=O)n1nc(-c2cc(NC(=O)C(CC)CC)ccc2O)cc1C1CCCC1.CCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c1.CCCNC(=O)n1nc(-c2cc(NC(=O)C(CC)CC)ccc2O)cc1C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ DDR2 Q16832 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CRACR2A Q9BSW2 1/20 0.31
▸ PTH1R Q03431 2/20 0.30
▸ GLA P06280 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
SCHEMBL6619894 0.88 KMT2A (0.39) LMNASMN1; SMN2GAAPOLBHSD17B10
SCHEMBL6614670 0.87 LMNA (0.43) LMNAGAAPOLBHSD17B10ALDH1A1
SCHEMBL6608027 0.87 KMT2A (0.39) LMNASMN1; SMN2GAAKMT2AMEN1
SCHEMBL6603375 0.85 KMT2A (0.41) LMNASMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL6617950 0.83 LMNA (0.47) LMNASMN1; SMN2GAAPOLBHSD17B10
SCHEMBL6618430 0.83 ALDH1A1 (0.38) LMNASMN1; SMN2GAAPOLBHSD17B10
SCHEMBL6620809 0.83 CHRNE (0.38) LMNAGAAPOLBKMT2AMEN1
SCHEMBL6617446 0.83 CYP3A4 (0.39) LMNAGAAPOLBALDH1A1KMT2A
SCHEMBL6616604 0.82 KMT2A (0.34) LMNASMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL6617955 0.82 KMT2A (0.37) LMNAGAAKMT2AMEN1CYP1A2

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 disclosed
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 disclosed
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