SCHEMBL6615707

SCHEMBL6615707

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)C(C)C)cc2O)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ AAK1 Q2M2I8 1/20 0.38
▸ TYR P14679 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL6618662 0.94 KMT2A (0.38) KMT2AAAK1TYRKDM4EALDH1A1
SCHEMBL6616599 0.90 KMT2A (0.43) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL6619728 0.89 AAK1 (0.41) KMT2AAAK1KDM4EALDH1A1MEN1
SCHEMBL6616543 0.87 KMT2A (0.42) KMT2AAAK1TYRKDM4EALDH1A1
SCHEMBL6615819 0.86 NPSR1 (0.40) AAK1TYRKDM4EALDH1A1HPGD
SCHEMBL6617536 0.85 AAK1 (0.40) KMT2AAAK1KDM4EALDH1A1MEN1
SCHEMBL6618615 0.85 AAK1 (0.40) KMT2AAAK1KDM4EALDH1A1MEN1
SCHEMBL6615259 0.85 MEN1 (0.40) KMT2AMEN1GAANAMPTNPC1
SCHEMBL6617766 0.85 KMT2A (0.40) KMT2AAAK1TYRKDM4EALDH1A1
SCHEMBL6615986 0.84 KMT2A (0.40) KMT2AMEN1CYP2D6CYP2C19CYP1A2

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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