SCHEMBL6616445

SCHEMBL6616445

CC(C)CC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CRACR2A Q9BSW2 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.37

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 0.98 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6618080 0.92 GAA (0.37) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6617082 0.92 TERT (0.36) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6675449 0.92 HPGD (0.43) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6614631 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6617462 0.91 CNR1 (0.39) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6677796 0.91 MAPK14 (0.37) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6615563 0.90 TERT (0.36) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6616682 0.90 NAMPT (0.42) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL6616341 0.90 HPGD (0.43) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD

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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