SCHEMBL6020928

SCHEMBL6020928

CCC(=O)Nc1cc2c(nc(C)n2C)c(O)c1CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
PKM P14618 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ADRB2 P07550 1/20 0.34
NPC1 O15118 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
MAPT P10636 4/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4574787 0.77 MEN1 (0.33) PKMALDH1A1ADRB2MAPTMEN1
SCHEMBL5116642 0.77 GAA (0.43) PKMALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4664692 0.76 GAA (0.33) RAB9APKMALDH1A1ADRB2NPC1
SCHEMBL5666829 0.73 ALDH1A1 (0.41) RAB9ACYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL16660490 0.66 ADRB2 (0.51) PKMCYP1A2CYP2C19ALDH1A1ADRB2
SCHEMBL4666506 0.66 MAP4K1 (0.33) ALDH1A1KDM4ESMN1; SMN2MAPTCASP1
SCHEMBL4737338 0.66 KDM4E (0.36) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL4664846 0.59 ALDH1A1 (0.33) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL22245543 0.58 MAPT (0.37) RAB9ACYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL24745609 0.57 CA12 (0.41) RAB9AALDH1A1NPC1KDM4ETP53

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-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed