SCHEMBL20344803

SCHEMBL20344803

CCCn1c(=O)ccc2cc(N[S+]([O-])Cc3ccc(C)c(F)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
BRPF1 P55201 3/20 0.35
P2RX3 P56373 3/20 0.34
BRD1 O95696 1/20 0.34
TP53 P04637 4/20 0.33
THRB P10828 1/20 0.32
BRD4 O60885 1/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
SCN9A Q15858 2/20 0.31

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
SCHEMBL20344781 0.86 KDM4E (0.39) MAPTBRPF1P2RX3BRD1TP53
SCHEMBL20344813 0.84 BRPF1 (0.35) MAPTBRPF1P2RX3TP53LMNA
SCHEMBL20344728 0.84 BRPF1 (0.36) MAPTBRPF1P2RX3BRD1TP53
SCHEMBL20344753 0.82 BRPF1 (0.35) MAPTBRPF1P2RX3TP53THRB
SCHEMBL20344777 0.79 BRPF1 (0.50) MAPTBRPF1BRD1TP53BRD4
SCHEMBL20344792 0.73 KDM4E (0.46) MAPTBRPF1BRD1TP53PKM
SCHEMBL20344756 0.73 HDAC1 (0.37) MAPTTP53BRD4PKMLMNA
SCHEMBL24519726 0.68 P2RX3 (0.41) MAPTBRPF1P2RX3BRD1TP53
SCHEMBL20344757 0.67 BRPF1 (0.50) MAPTBRPF1BRD1TP53BRD4
SCHEMBL20616477 0.67 BRPF1 (0.55) MAPTBRPF1P2RX3BRD1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed
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