SCHEMBL20344702

SCHEMBL20344702

CCCN(C(C)=O)c1ccc(NS(=O)(=O)Cc2ccc(C)c(F)c2)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
BRPF1 P55201 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
P2RY12 Q9H244 1/20 0.33
RORC P51449 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL23709485 0.82 POLB (0.35) ALOX15HSD17B10POLBNPC1ALDH1A1
SCHEMBL20186983 0.76 FFAR4 (0.39) ALOX15HSD17B10NPC1ALDH1A1KMT2A
SCHEMBL22241441 0.68 POLB (0.44) POLBALDH1A1KMT2AHDAC1HDAC6
SCHEMBL24425765 0.67 DAO (0.39) POLBALDH1A1KMT2AHDAC1HDAC6
SCHEMBL18424069 0.67 HPGD (0.50) POLBKMT2AHPGDBRPF1MEN1
SCHEMBL20344777 0.66 BRPF1 (0.50) KMT2AHDAC8BRPF1HDAC1HDAC6
SCHEMBL20344772 0.66 BRPF1 (0.42) HSD17B10POLBNPC1KMT2AHDAC8
SCHEMBL20344802 0.65 HDAC8 (0.34) POLBKMT2AHDAC8BRPF1HDAC1
SCHEMBL20344751 0.65 BRD4 (0.41) POLBKMT2AHDAC8BRPF1HDAC1
SCHEMBL20616466 0.65 BRD4 (0.36) KMT2AHDAC8BRPF1HDAC1HDAC6

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