SCHEMBL6615699

SCHEMBL6615699

C=CCNC(=O)n1nc(-c2ccc(NC(=O)C(C)C)cc2O)cc1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TYR P14679 1/20 0.32

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
SCHEMBL6616604 0.93 KMT2A (0.34) KMT2AALDH1A1NPSR1MAPTKDM4E
SCHEMBL6615477 0.90 GAA (0.38) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6617766 0.89 KMT2A (0.40) KMT2AALDH1A1NPSR1MAPTKDM4E
SCHEMBL6615044 0.88 GAA (0.38) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6619722 0.87 KMT2A (0.38) KMT2AALDH1A1NPSR1MAPTKDM4E
SCHEMBL6616543 0.86 KMT2A (0.42) KMT2AALDH1A1NPSR1MAPTKDM4E
SCHEMBL6606850 0.86 GAA (0.39) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6617940 0.85 ALDH1A1 (0.38) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6617829 0.85 ALDH1A1 (0.39) KMT2AALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL6615076 0.84 RAB9A (0.39) KMT2AALDH1A1MAPTKDM4EMEN1

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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