SCHEMBL20344692

SCHEMBL20344692

CCCN1c2ccc(NS(=O)(=O)Cc3cc(F)c(C)c(F)c3)cc2CCC1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
CREBBP Q92793 2/20 0.35
DRD2 P14416 2/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.34
MTNR1A P48039 1/20 0.33
KDM4E B2RXH2 1/20 0.32
BCL2 P10415 1/20 0.32
TRIM24 O15164 4/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 3/20 0.32
MLNR O43193 1/20 0.32
POLB P06746 1/20 0.32
PGR P06401 1/20 0.32
FSHR P23945 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20344747 0.81 BRD4 (0.42) BRD4CREBBPDRD2ALOX5EPHX2
SCHEMBL20616463 0.76 BRD4 (0.40) BRD4MLNR
SCHEMBL20616478 0.75 BRD4 (0.37) BRD4KDM4EMAPTPGR
SCHEMBL20616476 0.75 BRD4 (0.37) BRD4CREBBPALOX5EPHX2BCL2
SCHEMBL20344751 0.71 BRD4 (0.41) BRD4CREBBPTRIM24TP53MAPT
SCHEMBL20344802 0.69 HDAC8 (0.34) BRD4TP53MAPTPOLBFSHR
SCHEMBL22756336 0.67 ATAD2 (0.43) BRD4DRD2DRD1DRD5MTNR1A
SCHEMBL20344767 0.67 BRD4 (0.37) BRD4CREBBPALOX5EPHX2TRIM24
SCHEMBL15298954 0.67 BRD4 (0.44) BRD4CREBBPTRIM24TP53MAPT
SCHEMBL20344739 0.67 BRD4 (0.42) BRD4CREBBPDRD2ALOX5EPHX2

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