SCHEMBL7794112

SCHEMBL7794112

COc1ccc(NC(C)CCCC(C)(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
KCNH3 Q9ULD8 1/20 0.49
ALDH1A1 P00352 7/20 0.46
HTT P42858 2/20 0.46
HDAC1 Q13547 1/20 0.44
GAA P10253 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SLC2A1 P11166 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL7784550 0.81 KCNH3 (0.51) MAPTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL11527128 0.81 L3MBTL1 (0.57) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL11529228 0.80 L3MBTL1 (0.56) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL19464345 0.78 L3MBTL1 (0.55) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL11531506 0.77 L3MBTL1 (0.60) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL11529335 0.77 L3MBTL1 (0.60) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL11532725 0.73 ALDH1A1 (0.72) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL20632768 0.73 ALDH1A1 (0.72) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL15325741 0.72 L3MBTL1 (0.55) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL29008517 0.72 MAPT (0.54) MAPTL3MBTL1MEN1KMT2AKDM4E

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-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed