SCHEMBL4645982

SCHEMBL4645982

O=C1CN(c2ccc([N+](=O)[O-])cc2)Cc2cc(F)c(OS(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SIRT6 Q8N6T7 2/20 0.35
MAPT P10636 7/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR2C P28335 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 1/20 0.33
HSPB1 P04792 1/20 0.33
ADRB1 P08588 1/20 0.33
ENPP2 Q13822 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL376853 0.71 HSPB1 (0.47) KMT2AMAPTALDH1A1LMNAMAPK1
SCHEMBL4649319 0.71 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4646264 0.71 ESR2 (0.36) POLBMEN1KMT2AMAPTHSPB1
SCHEMBL4648651 0.71 MAPT (0.44) POLBMEN1KMT2ASIRT6MAPT
SCHEMBL16858557 0.67 KCNN4 (0.38) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8616810 0.67 HSPB1 (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL37687 0.65 CA1 (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10035008 0.65 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2589545 0.65 MAPK1 (0.36) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL14511816 0.64 PDGFRB (0.42) MEN1KMT2AALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed