SCHEMBL21699962

SCHEMBL21699962

Cn1cc([S+]([O-])NC2COCC2O)c(F)c1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL21699989 0.92 ENPP2 (0.32) ENPP2
SCHEMBL21702600 0.82 NPC1 (0.46) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL21670141 0.81 LMNA (0.40) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28619403 0.81 LMNA (0.40) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL29592841 0.81 LMNA (0.40) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL21702675 0.80 MEN1 (0.37) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL21700074 0.80 MEN1 (0.41) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL21702662 0.79 MEN1 (0.39) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL21727501 0.78 MAOB (0.39) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL21699969 0.77 MAOB (0.44) MEN1KMT2ALMNAMAPTRAB9A

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-3608326-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-02-12 EP disclosed