SCHEMBL6674878

SCHEMBL6674878

O=C(O)c1cc(N2CCCCC2)c2cccc(Nc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PLAU P00749 1/20 0.42
NCF1 P14598 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.39
CDC7 O00311 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
SCHEMBL6604563 0.81 KDM4E (0.46) MEN1KMT2AHTTRAB9ANCF1
SCHEMBL6600666 0.80 NCF1 (0.49) MEN1KMT2APIM1PIM3NCF1
Hydrochloric Acid SCHEMBL6079350 0.80 KDM4E (0.44) MEN1KMT2AHTTRAB9ANCF1
Hydrochloric Acid SCHEMBL6080392 0.79 NCF1 (0.48) MEN1KMT2AHTTPIM1PIM3
SCHEMBL6594902 0.76 MAPT (0.58) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL6594911 0.76 MAPT (0.58) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL6594774 0.75 SMN1; SMN2 (0.46) MEN1KMT2ANPC1RAB9AADORA3
SCHEMBL18733034 0.74 CSNK2A2 (0.42) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL6673204 0.73 SIRT2 (0.43) MEN1KMT2AKDM4ECSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL6080061 0.72 CSNK2A2 (0.44) MEN1KMT2ANPC1HTTPIM1

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed