SCHEMBL9955398

SCHEMBL9955398

CCOC(=O)CNc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 8/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NLRP3 Q96P20 1/20 0.39
KMT2A Q03164 1/20 0.38
PTGER4 P35408 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GALR2 O43603 1/20 0.36
MITF O75030 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
SCHEMBL1346377 0.85 LMNA (0.52) LMNAMAPTKDM4EGLAPOLB
SCHEMBL3592533 0.82 LMNA (0.57) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL27893370 0.80 LMNA (0.52) LMNAMAPTKDM4EGLAPOLB
SCHEMBL9956111 0.80 LMNA (0.55) LMNAMAPTKDM4EGLAPOLB
SCHEMBL28995916 0.79 MAPT (0.42) LMNAMAPTPOLBALDH1A1MAPK1
SCHEMBL7802433 0.77 LMNA (0.61) LMNAMAPTKDM4EGLAPOLB
SCHEMBL31657581 0.77 LMNA (0.52) LMNAMAPTKDM4EGLAPOLB
SCHEMBL8190013 0.76 LMNA (0.64) LMNAMAPTKDM4EGLAPOLB
SCHEMBL9863059 0.75 LMNA (0.62) LMNAMAPTKDM4EGLAPOLB
SCHEMBL307250 0.75 MAPT (0.41) LMNAMAPTKDM4EPOLBALDH1A1

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
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed