SCHEMBL5645307

SCHEMBL5645307

Cc1ccc(C(=O)NCc2ccc(F)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.58
NR1H4 Q96RI1 2/20 0.58
PPARG P37231 3/20 0.50
P2RX7 Q99572 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MAOB P27338 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NNMT P40261 1/20 0.47
MAPT P10636 1/20 0.47

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) EPHX2NR1H4PPARGHDAC3HDAC1
SCHEMBL3962896 0.86 LMNA (0.60) EPHX2NR1H4PPARG
SCHEMBL5645497 0.86 ROCK2 (0.58) EPHX2NR1H4P2RX7
SCHEMBL5643140 0.85 EPHX2 (0.54) EPHX2NR1H4PPARGMAOB
SCHEMBL3460904 0.85 EPHX2 (0.57) EPHX2NR1H4PPARGHDAC1MAOB
SCHEMBL18067725 0.82 HPGD (0.59) EPHX2NR1H4P2RX7HDAC1HPGD
SCHEMBL13947127 0.82 HPGD (0.64) HPGDMAPT
SCHEMBL20365215 0.82 EPHX2 (0.76) EPHX2NR1H4PPARGHDAC3MAPT
SCHEMBL678099 0.81 CA2 (0.70) EPHX2NR1H4
SCHEMBL3568253 0.79 P2RX7 (0.53) EPHX2NR1H4PPARGP2RX7MAOB

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