SCHEMBL2641827

SCHEMBL2641827

O=C(O)NCc1ccc(/C=C/c2ccc(Br)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.44
HDAC3 O15379 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC6 Q9UBN7 6/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2641833 1.00 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL27033167 0.84 FPR2 (0.45) ALDH1A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL2641924 0.82 HDAC3 (0.41) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641915 0.82 HDAC3 (0.43) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641913 0.82 HDAC3 (0.43) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641917 0.82 HDAC3 (0.41) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641902 0.82 L3MBTL1 (0.52) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641908 0.82 L3MBTL1 (0.52) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641864 0.82 HDAC1 (0.60) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL2641870 0.82 HDAC1 (0.60) HDAC1HDAC3HDAC8HDAC2HDAC6

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