SCHEMBL21702675

SCHEMBL21702675

Cn1cc(SNC2COCC2O)c(F)c1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
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
SCHEMBL21700075 0.81 NPC1 (0.47) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL21670141 0.80 LMNA (0.40) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL28619403 0.80 LMNA (0.40) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL29592841 0.80 LMNA (0.40) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL21699962 0.80 MEN1 (0.38) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL21700035 0.79 RAB9A (0.46) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL21700069 0.75 ALDH1A1 (0.31) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL21699989 0.71 ENPP2 (0.32) ENPP2
SCHEMBL21670242 0.71 ENPP2 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL23082190 0.71 RAB9A (0.49) MEN1KMT2ALMNAMAPTMAOB

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-2020030781-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-02-13 WO disclosed