SCHEMBL3943232

SCHEMBL3943232

COc1ccc(-c2ccc(S(=O)(=O)N3CCc4c(ccnc4Nc4cnc5ccccc5c4)C3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.78
MKNK1 Q9BUB5 5/20 0.47
IGF1R P08069 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
GBA1 P04062 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3941303 0.98 FAAH (0.82) FAAHMKNK1IGF1RPKM
SCHEMBL3942417 0.95 FAAH (0.78) FAAHMKNK1IGF1RPKM
SCHEMBL3936263 0.92 FAAH (0.90) FAAHMEN1KMT2ASMN1; SMN2GBA1
SCHEMBL3933996 0.90 FAAH (0.67) FAAHMKNK1IGF1RSMN1; SMN2MAPT
SCHEMBL3932545 0.89 FAAH (0.79) FAAHMKNK1IGF1RMAPTTP53
SCHEMBL3931396 0.89 FAAH (0.85) FAAHMKNK1KMT2ASMN1; SMN2LMNA
SCHEMBL3933101 0.89 FAAH (0.73) FAAHMKNK1IGF1R
SCHEMBL3942587 0.89 FAAH (0.78) FAAHMKNK1KMT2ALMNA
SCHEMBL3930701 0.88 FAAH (0.86) FAAHMKNK1MEN1KMT2ASMN1; SMN2
SCHEMBL3941343 0.88 FAAH (0.86) FAAHMEN1KMT2ASMN1; SMN2KDM4E

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