SCHEMBL2641767

SCHEMBL2641767

O=C(O)NCc1ccc(/C=C/c2ccnc(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC6 Q9UBN7 6/20 0.41
KDM1A O60341 5/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC11 Q96DB2 2/20 0.40
NR3C1 P04150 1/20 0.40
PPARG P37231 1/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39

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
SCHEMBL2641775 1.00 KDM4E (0.41) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641909 0.84 ALDH1A1 (0.45) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641814 0.84 KDM4E (0.41) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641809 0.84 KDM4E (0.41) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641912 0.84 ALDH1A1 (0.45) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641864 0.84 HDAC1 (0.60) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641870 0.84 HDAC1 (0.60) KDM4EHDAC1HDAC6KDM1AHDAC8
SCHEMBL2641915 0.82 HDAC3 (0.43) KDM4EHDAC1HDAC6HDAC8HDAC3
SCHEMBL2641913 0.82 HDAC3 (0.43) KDM4EHDAC1HDAC6HDAC8HDAC3
SCHEMBL2641874 0.80 ALDH1A1 (0.42) KDM4EHDAC1HDAC6KDM1AHDAC8

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 1 patent. 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 disclosed