SCHEMBL8260932

SCHEMBL8260932

COc1ccc(CCNc2ccccc2NC(=O)CCCCCNC(C)COCc2ccc(F)cc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL6037909 0.86 SMN1; SMN2 (0.45) MEN1KMT2AATMLMNAHPGD
SCHEMBL8637193 0.66 KMT2A (0.60) MEN1KMT2ALMNASMN1; SMN2HDAC1
SCHEMBL13255493 0.65 ALDH1A1 (0.62) MEN1KMT2AHPGDSMN1; SMN2HDAC3
SCHEMBL9973826 0.65 KDM4E (0.70) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL2845251 0.65 HCAR2 (0.71) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23417617 0.65 ALDH1A1 (0.77) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7280544 0.65 ALDH1A1 (0.62) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7278495 0.65 PLAAT3 (0.74) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL13352155 0.65 ALDH1A1 (0.71) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL4023394 0.65 KMT2A (0.79) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed