SCHEMBL8091257

SCHEMBL8091257

N#CC(C(=O)O)c1ncccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NAPRT Q6XQN6 3/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 2/20 0.34
SHMT2 P34897 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL13516529 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NAPRTMEN1GAAKMT2A
SCHEMBL6681570 0.80 MEN1 (0.61) SMN1; SMN2MEN1GAAKMT2AKDM4E
SCHEMBL8105262 0.76 ALDH1A1 (0.53) SMN1; SMN2MEN1GAAKMT2AKDM4E
SCHEMBL16504573 0.75 PDE5A (0.41) SMN1; SMN2NAPRTMEN1GAAKMT2A
SCHEMBL18989970 0.75 NAPRT (0.42) NAPRTKMT2AHDAC1SHMT2KDM4E
SCHEMBL783597 0.71 KMT2A (0.63) SMN1; SMN2NAPRTMEN1GAAKMT2A
SCHEMBL27446646 0.67 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL21933011 0.67 CYP1A2 (0.45) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL13085735 0.67 NOS3 (0.43) SMN1; SMN2MEN1KMT2AKDM4ECYP1A2
SCHEMBL16771464 0.67 NR4A2 (0.38) SMN1; SMN2NAPRTMEN1KMT2AKDM4E

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
US-6117885-A Biphenyl-substituted quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 2000-09-12 US disclosed
EP-0556060-A1 Biphenyl-substituted quinoline and naphthyridines derivatives as angiotensine II antagonists E.R. SQUIBB & SONS, INC. (US) 1993-08-18 EP disclosed