SCHEMBL4014297

SCHEMBL4014297

O=C(O)c1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.76
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4018971 0.91 FAAH (0.76) FAAH
SCHEMBL4015887 0.91 FAAH (0.76) FAAHKDM4EL3MBTL1AKR1C3TSHR
SCHEMBL3934606 0.90 FAAH (0.80) FAAHKMT2AMEN1AKR1C3AKR1C2
SCHEMBL4017908 0.89 FAAH (0.72) FAAHAKR1C3SMN1; SMN2
SCHEMBL4010751 0.88 FAAH (0.85) FAAHAKR1C3AKR1C2
SCHEMBL4010314 0.88 FAAH (0.71) FAAHLMNASMN1; SMN2
SCHEMBL4008348 0.87 FAAH (0.68) FAAH
SCHEMBL3933960 0.87 FAAH (0.86) FAAHLMNASMN1; SMN2
SCHEMBL3942978 0.87 FAAH (0.86) FAAHPKMTSHRLMNASMN1; SMN2
SCHEMBL3941135 0.87 FAAH (1.00) FAAHKMT2AMEN1AKR1C3LMNA

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