SCHEMBL6620336

SCHEMBL6620336

CC(C)CC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SLC1A2 P43004 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ ECE1 P42892 1/20 0.35

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
SCHEMBL6615297 0.91 RAB9A (0.38) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6621748 0.91 CNR1 (0.40) KDM4ETSHRCNR1RAB9ASMN1; SMN2
SCHEMBL6618110 0.90 RAB9A (0.38) KDM4ETSHRRAB9ASMN1; SMN2NPC1
SCHEMBL6651075 0.89 KMT2A (0.39) POLBKDM4ECNR1RAB9AKMT2A
SCHEMBL6620062 0.89 CNR1 (0.40) KDM4ETSHRCNR1RAB9ASMN1; SMN2
SCHEMBL6616445 0.89 SMN1; SMN2 (0.41) POLBKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL6617294 0.88 SLC1A2 (0.39) POLBKDM4ECNR1RAB9AKMT2A
SCHEMBL6620279 0.87 KMT2A (0.38) KDM4ECNR1KMT2AMEN1SLC1A2
SCHEMBL6618283 0.87 CNR1 (0.41) KDM4ETSHRCNR1RAB9ASMN1; SMN2
SCHEMBL6675449 0.87 HPGD (0.43) POLBKDM4ETSHRCNR1RAB9A

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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