SCHEMBL14364604

SCHEMBL14364604

O=C(Nc1c(Cl)cncc1Cl)c1ccc(O)c2oc3ccc([N+](=O)[O-])cc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
LYN P07948 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL4033314 0.87 PDE4D (0.59) PDE4DPDE4APDE4BPDE4C
SCHEMBL4032324 0.85 PDE4D (0.69) PDE4DSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL4755347 0.85 PDE4D (0.69) PDE4DSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL13632194 0.84 PDE4D (0.51) PDE4DJAK2PDE4APDE4BPDE4C
SCHEMBL6526531 0.82 PDE4D (0.55) PDE4DSMN1; SMN2CYP3A4MAPK1PDE4A
SCHEMBL13794644 0.79 PDE4D (0.74) PDE4DPDE4APDE4BPDE4C
SCHEMBL13631994 0.78 PDE4D (0.46) PDE4DJAK2PDE4APDE4BPDE4C
SCHEMBL13631920 0.78 PDE4D (0.48) PDE4DJAK2MAOAPDE4APDE4B
SCHEMBL13777339 0.77 PDE4D (0.55) PDE4DPDE4APDE4BPDE4C
SCHEMBL14457761 0.75 PDE4D (0.57) PDE4DSMN1; SMN2RAB9AKMT2ACYP3A4

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-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed