SCHEMBL5643140

SCHEMBL5643140

O=C(NCc1ccc(F)cc1F)c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
NR1H4 Q96RI1 2/20 0.54
PPARG P37231 5/20 0.48
MAOB P27338 1/20 0.48
KLKB1 P03952 1/20 0.45
CA2 P00918 1/20 0.45
GSK3B P49841 1/20 0.45
AKR1B1 P15121 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B13 Q7Z5P4 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
SCHEMBL6782132 0.87 EPHX2 (0.56) EPHX2NR1H4PPARGMAOB
SCHEMBL5642964 0.86 LMNA (0.53) EPHX2NR1H4
SCHEMBL5645307 0.85 EPHX2 (0.58) EPHX2NR1H4PPARGMAOB
SCHEMBL3460904 0.85 EPHX2 (0.57) EPHX2NR1H4PPARGMAOBAKR1B1
SCHEMBL3962896 0.83 LMNA (0.60) EPHX2NR1H4PPARG
SCHEMBL678099 0.81 CA2 (0.70) EPHX2NR1H4CA2KMT2A
SCHEMBL5049108 0.79 PPARG (0.59) EPHX2NR1H4PPARGMAOB
SCHEMBL5083302 0.78 CXCR4 (0.60) EPHX2NR1H4PPARGMAOBKLKB1
SCHEMBL5045508 0.78 PPARG (0.58) EPHX2NR1H4PPARGMAOB
SCHEMBL5451331 0.77 MAOB (0.44) MAOBMEN1KMT2A

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
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed