SCHEMBL3655900

SCHEMBL3655900

Cc1c(CNc2ccccc2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
SIGMAR1 Q99720 1/20 0.41
GAA P10253 3/20 0.41
MAOB P27338 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
FAAH O00519 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KLKB1 P03952 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
P2RX7 Q99572 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL2367810 0.85 POLB (0.40) POLBSIGMAR1GAAPTGDR2FFAR1
SCHEMBL13844987 0.75 SMN1; SMN2 (0.42) POLBSIGMAR1GAAPTGDR2TDP1
SCHEMBL11117945 0.73 FFAR1 (0.62) POLBMAOBPTGDR2FFAR1MAPT
SCHEMBL2368116 0.72 KMT2A (0.42) POLBSIGMAR1GAATDP1HTT
Hydrochloric Acid SCHEMBL11124212 0.71 FFAR1 (0.60) POLBMAOBPTGDR2FFAR1MAPT
SCHEMBL1923196 0.71 HPGD (0.48) GAAPTGDR2HTTTP53SMN1; SMN2
SCHEMBL31414354 0.69 KDM4E (0.51) PTGDR2MAPT
SCHEMBL15484651 0.69 KDM4E (0.46) POLBGAAPTGDR2HTTNPSR1
SCHEMBL2367655 0.69 KDM4E (0.51) PTGDR2MAPT
SCHEMBL15484860 0.69 KDM4E (0.64) POLBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207770-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP disclosed
WO-2009060053-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed