SCHEMBL6616682

SCHEMBL6616682

CC(C)CC(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CHRNA7 P36544 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL6617191 0.92 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AHPGDALDH1A1
SCHEMBL6616445 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AHPGDALDH1A1
SCHEMBL6620487 0.90 CHRNA7 (0.37) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL6617929 0.89 AAK1 (0.38) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL6622965 0.87 AAK1 (0.38) SMN1; SMN2MAPTKMT2AHPGDALDH1A1
SCHEMBL6604937 0.87 AAK1 (0.39) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL6620003 0.86 RAB9A (0.39) SMN1; SMN2MAPTKMT2AHPGDALDH1A1
SCHEMBL6615563 0.85 TERT (0.36) SMN1; SMN2MAPTKMT2AHPGDALDH1A1
SCHEMBL6608277 0.85 AAK1 (0.39) SMN1; SMN2MAPTKMT2AHPGDALDH1A1
SCHEMBL6614856 0.85 AAK1 (0.39) SMN1; SMN2MAPTKMT2AHPGDALDH1A1

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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