SCHEMBL14104081

SCHEMBL14104081

Fc1cccc(-c2nc(Oc3ccccc3F)c3sccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ DHPS P49366 1/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3C2B O00750 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 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
SCHEMBL14103798 0.89 MAPK1 (0.44) MAPK1DHPSMRGPRX1MAPTL3MBTL1
SCHEMBL14103795 0.84 L3MBTL1 (0.39) MAPK1DHPSMAPTL3MBTL1HTT
SCHEMBL14104180 0.84 PIK3CA (0.47) MAPK1DHPSL3MBTL1ALDH1A1ABCG2
SCHEMBL14104079 0.84 CYP1A2 (0.36) MAPK1DHPSMAPTALDH1A1ABCG2
SCHEMBL14104080 0.84 CYP1A2 (0.46) MAPK1DHPSMAPTL3MBTL1HTT
SCHEMBL14104446 0.82 TRPA1 (0.41) MAPK1MAPTL3MBTL1HTTALDH1A1
SCHEMBL14103756 0.81 TRPA1 (0.41) MAPK1MAPTL3MBTL1HTTPDGFRB
SCHEMBL14103898 0.81 HDAC3 (0.38) DHPSMAPTL3MBTL1HTTPDGFRB
SCHEMBL4738769 0.80 MAPK1 (0.46) MAPK1MRGPRX1MAPTL3MBTL1HTT
SCHEMBL4574977 0.79 MAPK1 (0.51) MAPK1MAPTL3MBTL1PDE4APDE4B

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-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
Send feedback