SCHEMBL6616604

SCHEMBL6616604

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL6615699 0.93 KMT2A (0.37) KMT2AAKR1C3ALDH1A1NPSR1MAPT
SCHEMBL6620646 0.90 KDM5A (0.39) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6617181 0.89 KDM4E (0.37) KMT2AAKR1C3ALDH1A1NPSR1MAPT
SCHEMBL6608027 0.88 KMT2A (0.39) KMT2AMEN1RAB9ASMN1; SMN2LMNA
SCHEMBL6620091 0.88 KMT2A (0.35) KMT2AAKR1C3ALDH1A1KDM4EMEN1
SCHEMBL6617202 0.88 ALDH1A1 (0.37) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6616769 0.88 KDM4E (0.37) KMT2AALDH1A1NPSR1MAPTKDM4E
SCHEMBL6616958 0.87 ALDH1A1 (0.39) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6616415 0.86 HTT (0.38) KMT2AAKR1C3ALDH1A1NPSR1MAPT
SCHEMBL6604908 0.86 GAA (0.38) 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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