SCHEMBL13638864

SCHEMBL13638864

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
PDE1B Q01064 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 3/20 0.34
NCF1 P14598 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 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 0.31
NOS1 P29475 1/20 0.31
GRM5 P41594 2/20 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
SCHEMBL13638739 0.84 GRM2 (0.42) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13163941 0.76 ALDH1A1 (0.53) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13634408 0.74 GRM2 (0.43) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL2561365 0.73 GRM2 (0.42) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL18291608 0.73 PDE1B (0.44) GRM2PDE1BJAK2JAK1PIK3CD
SCHEMBL13162600 0.72 KMT2A (0.49) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL6132960 0.72 JAK2 (0.44) GRM2PDE1BJAK2JAK1ALDH1A1
SCHEMBL13164038 0.72 GRM2 (0.45) GRM2PDE1BJAK2JAK1SMN1; SMN2
SCHEMBL13162328 0.72 ALDH1A1 (0.37) GRM2ALDH1A1LMNAMEN1KMT2A
SCHEMBL13270156 0.70 ALDH1A1 (0.36) GRM2ALDH1A1LMNAMEN1KMT2A

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