SCHEMBL20344728

SCHEMBL20344728

CCCn1c(=O)ccc2cc(N[S+]([O-])Cc3c(F)c(F)c(C)c(F)c3F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 9/20 0.36
MAPT P10636 4/20 0.33
P2RX3 P56373 1/20 0.31
TP53 P04637 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
FGFR1 P11362 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
CCNA1 P78396 1/20 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
SCHEMBL20344813 0.84 BRPF1 (0.35) BRPF1MAPTP2RX3TP53CCNB2
SCHEMBL20344803 0.84 MAPT (0.35) BRPF1MAPTP2RX3TP53BRD1
SCHEMBL20344753 0.82 BRPF1 (0.35) BRPF1MAPTP2RX3TP53CCNB2
SCHEMBL20344727 0.78 BRPF1 (0.52) BRPF1MAPTBRD1BRD4BRD9
SCHEMBL22756346 0.76 BRPF1 (0.54) BRPF1MAPTBRD1BRD4BRD9
SCHEMBL22756341 0.72 ATAD2 (0.37) MAPTTP53BRD4
SCHEMBL20344781 0.70 KDM4E (0.39) BRPF1MAPTP2RX3TP53BRD1
SCHEMBL20344736 0.70 RXRA (0.35)
SCHEMBL17979387 0.68 MAPT (0.45) BRPF1MAPTCCNB2CCNE2CDK1
SCHEMBL20344752 0.67 BRPF1 (0.50) BRPF1MAPTBRD1BRD4BRD9

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