SCHEMBL21670280

SCHEMBL21670280

CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 2/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL21669775 1.00 SMN1; SMN2 (0.62) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21670281 0.91 TP53 (0.54) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21669804 0.91 TP53 (0.54) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21670316 0.88 GAA (0.68) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21669809 0.88 GAA (0.68) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21669786 0.85 GAA (0.64) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21670306 0.85 GAA (0.64) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL21669776 0.84 MEN1 (0.69) SMN1; SMN2GAAKMT2AMEN1POLB
SCHEMBL21670313 0.84 MEN1 (0.69) SMN1; SMN2GAAKMT2AMEN1POLB
SCHEMBL21670348 0.82 MEN1 (0.73) SMN1; SMN2GAAKMT2AMEN1POLB

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
WO-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed