SCHEMBL4049519

SCHEMBL4049519

CCOC(=O)CNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CHRM2 P08172 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PPID Q08752 2/20 0.47
PPIB P23284 1/20 0.47
PPIA P62937 1/20 0.47
PPIG Q13427 1/20 0.47
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3156693 0.87 CHRM2 (0.54) CHRM2MEN1KMT2AMAPTALDH1A1
SCHEMBL2045374 0.85 PPID (0.67) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL8172847 0.84 RAB9A (0.53) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL14128576 0.82 CHRM2 (0.49) LMNACHRM2MEN1KMT2AMAPT
SCHEMBL8252663 0.82 SMN1; SMN2 (0.54) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL11187635 0.82 PPID (0.54) LMNACHRM2KMT2AMAPTALDH1A1
SCHEMBL21794783 0.81 LMNA (0.44) LMNACHRM2MEN1KMT2AMAPT
SCHEMBL27640326 0.81 LMNA (0.49) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL8229648 0.81 LMNA (0.48) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL398701 0.80 LMNA (0.73) LMNAMEN1KMT2AMAPTALDH1A1

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed