SCHEMBL4014500

SCHEMBL4014500

O=S(=O)(c1ccc(-c2nsc(Cl)n2)s1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.64
PFKFB3 Q16875 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MKNK1 Q9BUB5 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM4 Q14833 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL3933627 0.87 FAAH (0.73) FAAHL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3931801 0.85 FAAH (0.66) FAAHL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL3941306 0.84 FAAH (0.65) FAAHPFKFB3L3MBTL1CYP1A2CYP2D6
SCHEMBL3937438 0.84 FAAH (0.73) FAAHL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3931485 0.84 FAAH (0.73) FAAHL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3933834 0.83 FAAH (0.70) FAAHL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3932389 0.83 FAAH (0.72) FAAHL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL3931109 0.82 FAAH (0.67) FAAHPFKFB3ALDH1A1LMNAMAPK1
SCHEMBL3938696 0.82 FAAH (0.62) FAAHL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL3931080 0.81 FAAH (0.75) FAAHALDH1A1LMNAMAPK1HTT

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed