SCHEMBL5646731

SCHEMBL5646731

CC(NC(=O)c1ccccc1Cl)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PPARG P37231 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ GPR139 Q6DWJ6 1/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL5648866 0.84 LMNA (0.60) SMN1; SMN2PPARGPOLBGAAALDH1A1
SCHEMBL5644858 0.80 MEN1 (0.61) SMN1; SMN2PPARGGPR139P2RX7POLB
SCHEMBL30277735 0.79 ALDH1A1 (0.44) PPARGGPR139GAAALDH1A1LMNA
SCHEMBL31359082 0.75 L3MBTL1 (0.48) SMN1; SMN2PPARGGPR139POLBGAA
SCHEMBL31187732 0.75 L3MBTL1 (0.48) SMN1; SMN2PPARGGPR139POLBGAA
SCHEMBL26896061 0.74 CES2 (0.45) PPARGGPR139POLBALDH1A1CYP1A2
SCHEMBL6359727 0.74 GPR139 (0.74) SMN1; SMN2GPR139POLBALDH1A1KDM4E
SCHEMBL5644652 0.74 NPC1 (0.51) SMN1; SMN2PPARGGPR139GAAALDH1A1
SCHEMBL1884905 0.73 L3MBTL1 (0.44) PPARGGPR139POLBGAAALDH1A1
SCHEMBL1884907 0.73 L3MBTL1 (0.44) PPARGGPR139POLBGAAALDH1A1

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
Send feedback