SCHEMBL4554939

SCHEMBL4554939

O=S(=O)(c1ccc(F)cc1)N1CCCCCC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.80
MAPT P10636 2/20 0.77
POLB P06746 3/20 0.71
PKM P14618 1/20 0.70
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
GAA P10253 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL7096080 1.00 USP2 (0.80) USP2MAPTPOLBPKMMEN1
SCHEMBL3236916 0.98 MAPT (0.80) USP2MAPTPOLBPKMMEN1
SCHEMBL423283 0.94 MAPT (0.74) USP2MAPTPOLBPKMMEN1
SCHEMBL208150 0.90 POLB (0.73) USP2MAPTPOLBPKMMEN1
SCHEMBL1711115 0.90 PKM (0.85) USP2MAPTPOLBPKMMEN1
SCHEMBL16964845 0.82 PKM (0.68) USP2MAPTPOLBPKMMEN1
SCHEMBL12793000 0.82 ALDH1A1 (0.73) USP2MAPTPOLBMEN1KMT2A
SCHEMBL20387932 0.82 ALDH1A1 (0.68) USP2MAPTPOLBMEN1KMT2A
Tert-Butyl Formate SCHEMBL28108074 0.81 MAPT (0.58) USP2MAPTPOLBPKMMEN1
SCHEMBL1797016 0.81 MAPT (0.69) MAPTPOLBPKMMEN1KMT2A

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-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed