SCHEMBL3372882

SCHEMBL3372882

C=C(C#N)C(=O)Oc1cccnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
DPP4 P27487 1/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL445460 0.78 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL23012554 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL5718211 0.75 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL5178813 0.75 SMN1; SMN2 (0.53) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL1622556 0.74 KDM4E (0.58) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL22497146 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL28121427 0.72 KDM4E (0.56) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL19459421 0.71 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM1AKDM4EGAA
SCHEMBL2445884 0.71 ALDH1A1 (0.46) SMN1; SMN2KDM4EMAPTATMTDP1
SCHEMBL16986510 0.71 KMT2A (0.45) SMN1; SMN2LMNAKDM4EMAPTATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188256-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-05-26 EP disclosed
WO-2009018662-A9 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
WO-2009018662-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-12 WO disclosed