SCHEMBL20344802

SCHEMBL20344802

CCCN1c2ccc(NS(=O)(=O)Cc3ccc(C)c(F)c3)cc2C=CC1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.34
BRPF1 P55201 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
P2RY12 Q9H244 1/20 0.33
BRD1 O95696 1/20 0.32
POLB P06746 2/20 0.32
FSHR P23945 1/20 0.31
ATM Q13315 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.30
BRAF P15056 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL20344751 0.72 BRD4 (0.41) HDAC8BRPF1HDAC1HDAC6BRD1
SCHEMBL20616466 0.72 BRD4 (0.36) HDAC8BRPF1HDAC1HDAC6BRD1
SCHEMBL20616467 0.72 BRD4 (0.39) HDAC8BRPF1HDAC1HDAC6BRD1
SCHEMBL20616472 0.71 PKM (0.37) HDAC8BRPF1HDAC1HDAC6BRD1
SCHEMBL20344779 0.70 HDAC8 (0.36) HDAC8BRPF1HDAC1HDAC6POLB
SCHEMBL20344772 0.69 BRPF1 (0.42) HDAC8BRPF1HDAC1HDAC6BRD1
SCHEMBL20344777 0.69 BRPF1 (0.50) HDAC8BRPF1HDAC1HDAC6BRD1
SCHEMBL20344692 0.69 BRD4 (0.35) POLBFSHRMAPTTP53LMNA
SCHEMBL20616479 0.67 BRPF1 (0.42) HDAC8BRPF1HDAC1HDAC6P2RY12
SCHEMBL20344702 0.65 ALOX15 (0.36) HDAC8BRPF1HDAC1HDAC6P2RY12

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
EP-3342766-A1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) 2018-07-04 EP disclosed