SCHEMBL841480

SCHEMBL841480

CC(C)Cn1c(N(C)C(=O)O)nc2cnc3cccnc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
ADORA2A P29274 1/20 0.32
ADRA1A P35348 1/20 0.32
NUDT1 P36639 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 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
SCHEMBL5808831 0.85 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HTR2AHTR2B
SCHEMBL842632 0.83 TLR7 (0.42) ALDH1A1TP53LMNAHTR2AHTR2B
SCHEMBL843383 0.81 ALDH1A1 (0.32) ALDH1A1TP53LMNASMN1; SMN2CASP1
SCHEMBL4056414 0.80 ALDH1A1 (0.41) ALDH1A1TP53LMNASMN1; SMN2KDM4E
SCHEMBL191697 0.78 LMNA (0.39) ALDH1A1TP53LMNASMN1; SMN2HTR2A
SCHEMBL192522 0.76 TSHR (0.42) ALDH1A1TP53LMNASMN1; SMN2HTR2A
SCHEMBL1490884 0.75 TP53 (0.36) ALDH1A1TP53LMNASMN1; SMN2HTR2A
SCHEMBL5808535 0.73 TLR7 (0.55) LMNAHTR2AHTR2BPOLBHRH2
SCHEMBL3355085 0.73 TLR7 (0.45) KDM4EPDE4DTLR7GLA
SCHEMBL842450 0.70 TLR7 (0.49) KDM4ENUDT1TLR7GLA

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
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed