SCHEMBL2641829

SCHEMBL2641829

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.40
HSD17B3 P37058 1/20 0.38
MAPT P10636 4/20 0.38
RELA Q04206 1/20 0.38
EGFR P00533 1/20 0.38
GRM5 P41594 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL20576848 0.82 OXTR (0.41) KMT2ANPC1ALOX15RAB9AALDH1A1
SCHEMBL2641905 0.82 NAPRT (0.40) APPHSD17B3RELAGRM5CTDSP1
SCHEMBL2641919 0.82 APP (0.40) APPHSD17B3MAPTRELAGRM5
SCHEMBL2641820 0.82 KCNH2 (0.50) APPHSD17B3MAPTRELAGRM5
SCHEMBL2641914 0.82 APP (0.40) APPHSD17B3MAPTRELAGRM5
SCHEMBL12185949 0.81 PAX8 (0.41) APPHSD17B3MAPTCTDSP1HDAC3
SCHEMBL2641782 0.81 MAPT (0.55) APPHSD17B3MAPTRELAMEN1
SCHEMBL2641787 0.81 MAPT (0.55) APPHSD17B3MAPTRELAMEN1
SCHEMBL2641868 0.80 HDAC1 (0.58) APPHSD17B3MAPTRELAEGFR
SCHEMBL2641830 0.78 BACE1 (0.40) HSD17B3MAPTRELAGRM5CTDSP1

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