SCHEMBL12069934

SCHEMBL12069934

CC(C)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
HPGD P15428 1/20 0.54
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
RECQL P46063 1/20 0.51
EPHX1 P07099 1/20 0.48
STS P08842 9/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46

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
SCHEMBL16400521 0.88 KMT2A (0.67) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL12513264 0.84 KMT2A (0.62) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL38665800 0.81 GLS (0.50) HPGDEPHX1NPC1RAB9AALDH1A1
SCHEMBL2939443 0.81 KMT2A (0.54) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL2939442 0.81 KMT2A (0.54) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL23674877 0.81 HPGD (0.61) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL888755 0.80 HPGD (0.60) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL8549425 0.80 KMT2A (0.58) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL16558896 0.79 EPHX1 (0.65) KMT2AHPGDPTPN2PTPN1PTPN6
SCHEMBL315355 0.79 KMT2A (0.57) KMT2AHPGDPTPN2PTPN1PTPN6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011148922-A1 NOVEL QUINAZOLINE COMPOUND 田辺三菱製薬株式会社 (JP) 2011-12-01 WO disclosed