SCHEMBL4035701

SCHEMBL4035701

O=C(Nc1ccc2oc3cccc(C(=O)NOCc4c(Cl)cncc4Cl)c3c2c1)OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
AGPAT2 O15120 4/20 0.34
AURKA O14965 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK3 Q00526 1/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
AURKB Q96GD4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDO2 P48775 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL5025239 0.82 NPC1 (0.42) LMNAHTTPDE4DALDH1A1AURKB
SCHEMBL5025403 0.80 NPC1 (0.34) LMNAHTTPDE4DNPC1RAB9A
SCHEMBL5547458 0.80 NPC1 (0.36) LMNAPDE4DMAPTMEN1KMT2A
SCHEMBL4026960 0.74 PDE4D (0.59) PDE4D
SCHEMBL5738928 0.69 NPC1 (0.39) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL6494766 0.69 PDE4D (0.34) PDE4DMAPTMEN1KMT2AALDH1A1
SCHEMBL31461599 0.66 PDE4D (0.67) HTTPDE4DMEN1KMT2AALDH1A1
SCHEMBL6533419 0.66 BTK (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5023305 0.65 GSTP1 (0.37) LMNAHTTMAPTALDH1A1NPC1
SCHEMBL5737896 0.65 PDE4D (0.40) PDE4DKMT2AALDH1A1AURKBNPC1

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-1620429-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS SA (CH) 2009-04-01 EP claimed