SCHEMBL4076597

SCHEMBL4076597

CC(C(=O)O)c1cc(Cc2ccc(Oc3ncccn3)cc2)n2cc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
ACACB O00763 3/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL4085297 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL3974826 0.74 PTGDR2 (0.42) ACACBITGB1ITGA4P2RX3MAOB
SCHEMBL3969315 0.71 P2RX3 (0.36) P2RX3KDM4E
SCHEMBL31527998 0.65 MEN1 (0.57) KDM4ELMNAMAOB
SCHEMBL11640849 0.60 PARP15 (0.53) KDM4ELMNA
SCHEMBL11442713 0.60 GAA (0.58) KDM4ELMNAGAA
SCHEMBL18906057 0.60 SRD5A2 (0.57) KDM4ELMNAGAA
SCHEMBL7114833 0.60 MRGPRX4 (0.53) MAOB
Hydrochloric Acid SCHEMBL7526696 0.59 MRGPRX4 (0.52) MAOB
SCHEMBL28270607 0.59 KMT2A (0.52) KDM4ELMNAGAA

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed