SCHEMBL15016096

SCHEMBL15016096

COc1ccc(C(=O)O)c2c3c(oc12)CN(C(=O)OC(C)(C)C)CC3c1ccccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX3 P56373 1/20 0.32
PDE4B Q07343 4/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 2/20 0.31
NAMPT P43490 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MET P08581 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
STS P08842 1/20 0.31

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
SCHEMBL3873773 0.90 KDM4E (0.38) LMNAKMT2AKDM4EMAPTALDH1A1
SCHEMBL73058 0.73 ADORA1 (0.43) KDM4EP2RX3MAPTSTS
SCHEMBL73073 0.72 ADORA1 (0.42) KDM4EP2RX3PDE4BMAPTSTS
SCHEMBL3867643 0.70 MAPT (0.38) LMNAMAPK1PDE4BMAPTALDH1A1
SCHEMBL72942 0.66 MAPT (0.42) LMNAKMT2AKDM4EP2RX3MAPT
SCHEMBL73236 0.65 MAPT (0.43) LMNAKMT2AKDM4EMAPTALDH1A1
SCHEMBL19268020 0.64 GPR119 (0.51) LMNAMAPK1KDM4EMAPTALDH1A1
SCHEMBL16843097 0.63 GPR119 (0.43) LMNAMAPK1KDM4EMAPTALDH1A1
SCHEMBL26912289 0.62 KMT2A (0.47) LMNAKMT2AKDM4EMAPTALDH1A1
SCHEMBL73099 0.61 PTGDR2 (0.44) LMNAKMT2AMAPTALDH1A1MEN1

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
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed