SCHEMBL13459552

SCHEMBL13459552

CCC(=O)N(c1c(Cl)ccc2nc(Cl)n(C)c12)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 1/20 0.31
ACACB O00763 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
SCHEMBL13459251 0.79 CRHR1 (0.58) CRHR1LMNASMN1; SMN2APAF1NPC1
SCHEMBL13459233 0.67 CRHR1 (0.40) CRHR1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3197266 0.62 CRHR1 (0.47) CRHR1MAPK1KMT2A
SCHEMBL12821356 0.59 ALDH1A1 (0.71) LMNASMN1; SMN2APAF1NPC1CASP3
SCHEMBL3216688 0.59 SMN1; SMN2 (0.46) CRHR1LMNASMN1; SMN2TP53
SCHEMBL3285946 0.57 KDM4E (0.47) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11436165 0.57 CYP3A4 (0.39) ALDH1A1
SCHEMBL3288795 0.56 CRHR1 (0.58) CRHR1SMN1; SMN2
SCHEMBL3287091 0.56 CRHR1 (0.41) CRHR1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13459548 0.56 SMN1; SMN2 (0.42) CRHR1SMN1; SMN2NPC1MEN1KMT2A

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-2010032461-A1 NITROGEN-CONTAINING FUSED RING COMPOUND 武田薬品工業株式会社 (JP) 2010-03-25 WO disclosed