SCHEMBL6617181

SCHEMBL6617181

CCNC(=O)n1nc(-c2cc(NC(=O)C(C)C)ccc2O)cc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ HPGD P15428 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PTGES O14684 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL6616769 0.98 KDM4E (0.37) KDM4EALDH1A1GLAKMT2AHPGD
SCHEMBL6620091 0.93 KMT2A (0.35) KDM4EALDH1A1GLAKMT2AHPGD
SCHEMBL6617766 0.93 KMT2A (0.40) KDM4EALDH1A1GLAKMT2AHPGD
SCHEMBL6619635 0.90 KDM5A (0.41) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL6616415 0.90 HTT (0.38) KDM4EALDH1A1GLAKMT2AHPGD
SCHEMBL6616604 0.89 KMT2A (0.34) KDM4EALDH1A1GLAKMT2AHPGD
SCHEMBL6618430 0.89 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL6604966 0.88 KMT2A (0.42) KMT2AMEN1HTTCYP2D6CYP2C19
SCHEMBL6619748 0.88 ALDH1A1 (0.38) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6617665 0.88 KMT2A (0.38) KDM4EALDH1A1GLAKMT2AHPGD

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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