SCHEMBL27339271

SCHEMBL27339271

COc1cc2nc(N3CCOCC3)nc(N3CCCCC3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.60
PDE10A Q9Y233 1/20 0.60
WHR1 P49842 2/20 0.57
EHMT2 Q96KQ7 6/20 0.55
EHMT1 Q9H9B1 6/20 0.55
STAT6 P42226 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.54
HIF1A Q16665 1/20 0.54
APP P05067 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CD O00329 1/20 0.52
PIK3R1 P27986 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52

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
SCHEMBL13329878 0.92 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4EWHR1EHMT2
SCHEMBL13329880 0.92 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4EWHR1EHMT2
SCHEMBL22144613 0.86 WHR1 (0.78) SMN1; SMN2ALDH1A1PDE10AWHR1EHMT2
SCHEMBL22144610 0.86 WHR1 (0.78) SMN1; SMN2ALDH1A1PDE10AWHR1EHMT2
SCHEMBL20610678 0.85 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4EWHR1EHMT2
SCHEMBL2914245 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EPDE10AWHR1
SCHEMBL20610675 0.84 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KDM4EWHR1EHMT2
SCHEMBL13893912 0.82 EHMT2 (0.60) SMN1; SMN2ALDH1A1KDM4EPDE10AEHMT2
SCHEMBL3780652 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EPDE10AEHMT2
SCHEMBL3527723 0.81 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KDM4EPDE10AEHMT2

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
CN-1043991-C Quinazoline deriv. KYOWA HAKKO KOGYO KK (JP) 1999-07-07 CN disclosed
CN-1134150-A Quinazoline derivatives KYOWA HAKKO KOGYO KK (JP) 1996-10-23 CN disclosed