SCHEMBL3412727

SCHEMBL3412727

O=C(O)Oc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.58
▸ F3 P13726 1/20 0.58
▸ MEN1 O00255 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ DAO P14920 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.49
▸ FLT3 P36888 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ F11 P03951 1/20 0.46
▸ PYGL P06737 3/20 0.45
▸ NHERF1 O14745 2/20 0.45
▸ HRH4 Q9H3N8 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3418189 0.87 ALOX15 (0.52) F7F3MEN1RAB9AKMT2A
SCHEMBL28795062 0.83 MEN1 (0.59) F7F3MEN1NPC1RAB9A
SCHEMBL5155719 0.81 SMAD3 (0.57) FLT3HRH4
SCHEMBL18886853 0.80 KMT2A (0.54) F7F3MEN1NPC1RAB9A
SCHEMBL3418659 0.80 PIN1 (0.58) MEN1NPC1RAB9AKMT2ADAO
SCHEMBL3381954 0.80 FLT3 (0.48) MEN1NPC1KMT2AFLT3CYP19A1
SCHEMBL3414863 0.80 KDM4E (0.58) DAOFLT3KDM4EALDH1A1LMNA
SCHEMBL10969376 0.80 DAO (0.58) F7F3MEN1NPC1RAB9A
SCHEMBL3419450 0.78 PDGFRB (0.60) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL1833251 0.77 KDM4E (0.55) NPC1RAB9ADAOFLT3SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2505588-B1 process for preparing AMINOMETHYL AZAADAMANTANE DERIVATIVES as SELECTIVE MODULATORS OF THE ALPHA7- NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR (NNRS) ABBVIE INC (US) 2013-11-13 — — EP claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 — — EP claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 — — EP disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 — — EP disclosed
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