SCHEMBL20158052

SCHEMBL20158052

CC(C=O)c1ccc(C(=O)c2ccc(F)cc2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
ALPG P10696 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL20158166 0.88 MAPT (0.43) LMNASMN1; SMN2ALDH1A1TDP1ATM
SCHEMBL20157564 0.85 LMNA (0.42) LMNASMN1; SMN2ALDH1A1ALPGTDP1
SCHEMBL20157556 0.81 LMNA (0.44) LMNASMN1; SMN2ALDH1A1ALPGTDP1
SCHEMBL11860220 0.77 LTA4H (0.46) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL20157547 0.75 MAPT (0.50) LMNASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL21351930 0.74 LMNA (0.39) LMNASMN1; SMN2ALDH1A1ALPGTDP1
SCHEMBL21362431 0.74 TDP1 (0.40) LMNASMN1; SMN2ALDH1A1TDP1ATM
SCHEMBL21362658 0.73 AAK1 (0.35) LMNASMN1; SMN2ALDH1A1ALPGTDP1
SCHEMBL20157523 0.73 CES2 (0.39) LMNASMN1; SMN2ALDH1A1ATMHTT
SCHEMBL4434983 0.73 PARP1 (0.41) LMNANPSR1RXRA

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-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed