SCHEMBL2641905

SCHEMBL2641905

CN(C(=O)O)c1ccc(/C=C/c2ccc(Cl)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.40
NFE2L2 Q16236 7/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B3 P37058 1/20 0.38
RELA Q04206 1/20 0.38
GRM5 P41594 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APP P05067 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2641914 0.82 APP (0.40) NFE2L2MEN1KMT2AHSD17B3RELA
SCHEMBL2641829 0.82 APP (0.40) ALDH1A1MEN1KMT2AHSD17B3RELA
SCHEMBL2641820 0.82 KCNH2 (0.50) MEN1KMT2AHSD17B3RELAGRM5
SCHEMBL2641919 0.82 APP (0.40) MEN1KMT2AHSD17B3RELAGRM5
SCHEMBL12185997 0.81 PAX8 (0.41) NFE2L2ALDH1A1MEN1KMT2ALMNA
SCHEMBL2373637 0.81 MAPT (0.55) ALDH1A1MEN1KMT2ALMNAHSD17B3
SCHEMBL2373640 0.81 MAPT (0.55) ALDH1A1MEN1KMT2ALMNAHSD17B3
SCHEMBL2641910 0.80 MAPT (0.41) NFE2L2ALDH1A1MEN1KMT2AHSD17B3
SCHEMBL2641830 0.78 BACE1 (0.40) ALDH1A1MEN1KMT2ALMNAHSD17B3
SCHEMBL4325573 0.76 NAPRT (0.65) NAPRTNFE2L2ALDH1A1MEN1KMT2A

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
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO claimed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed