SCHEMBL6620487

SCHEMBL6620487

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ROCK2 O75116 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
SCHEMBL6603917 0.93 CHRNA7 (0.36) CHRNA7NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6617829 0.91 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6616682 0.90 NAMPT (0.42) CHRNA7NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6619722 0.89 KMT2A (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6617766 0.87 KMT2A (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6619573 0.86 JAK2 (0.43) CHRNA7NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6614670 0.85 LMNA (0.43) CHRNA7ALDH1A1LMNAMEN1KMT2A
SCHEMBL6616388 0.85 NAMPT (0.37) LMNADRD2ROCK2
SCHEMBL6618430 0.85 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6616479 0.85 EPHX2 (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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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