SCHEMBL13638739

SCHEMBL13638739

CC1(C)COCCN1Cc1ccc(N=O)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
PDE1B Q01064 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
KCNJ1 P48048 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 1/20 0.32
NOS1 P29475 1/20 0.32
NCF1 P14598 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30

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
SCHEMBL13638864 0.84 GRM2 (0.46) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13638957 0.80 HRH3 (0.49) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL13638972 0.73 KMT2A (0.46) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13638959 0.72 SIGMAR1 (0.52) KCNJ1ERN1MEN1KMT2A
SCHEMBL2561365 0.71 GRM2 (0.42) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13638752 0.71 GRM2 (0.43) GRM2BRD4CCL2
SCHEMBL13638850 0.70 KMT2A (0.42) GRM2JAK2JAK1ALDH1A1LMNA
SCHEMBL6132960 0.70 JAK2 (0.44) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13164038 0.69 GRM2 (0.45) GRM2PDE1BJAK2JAK1SMN1; SMN2
SCHEMBL13162328 0.69 ALDH1A1 (0.37) GRM2ALDH1A1LMNAMAPTKCNJ1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed