SCHEMBL21937090

SCHEMBL21937090

FC(F)(F)c1cc(NC(=S)NC[C@@H]2CCCC[C@H]2NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.48
▸ MYC P01106 1/20 0.47
▸ MAX P61244 1/20 0.47
▸ MEN1 O00255 10/20 0.45
▸ KMT2A Q03164 10/20 0.45
▸ HTT P42858 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 8/20 0.40
▸ HPGD P15428 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CDK1 P06493 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17448378 0.86 LMNA (0.58) LMNAMYCMAXMEN1KMT2A
SCHEMBL7520490 0.86 LMNA (0.58) LMNAMYCMAXMEN1KMT2A
SCHEMBL31484379 0.86 LMNA (0.58) LMNAMYCMAXMEN1KMT2A
SCHEMBL19805277 0.84 MYC (0.48) LMNAMYCMAXMEN1KMT2A
SCHEMBL19805274 0.81 MYC (0.45) LMNAMYCMAXMEN1KMT2A
SCHEMBL19805279 0.81 MYC (0.45) LMNAMYCMAXMEN1KMT2A
SCHEMBL19805275 0.80 MYC (0.44) LMNAMYCMAXMEN1KMT2A
SCHEMBL3891762 0.80 LMNA (0.52) LMNAMYCMAXMEN1KMT2A
SCHEMBL20429711 0.80 LMNA (0.52) LMNAMYCMAXMEN1KMT2A
SCHEMBL15685312 0.80 LMNA (0.52) LMNAMYCMAXMEN1KMT2A

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
US-10620143-B2 Sensor and method of detecting an analyte using 19F NMR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-14 — — US disclosed
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