SCHEMBL9952591

SCHEMBL9952591

COc1cc(NC(=O)C=O)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
CNR1 P21554 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SCN10A Q9Y5Y9 2/20 0.42
MAPK3 P27361 1/20 0.42
AR P10275 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNB1 Q14721 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL13036336 0.82 SORT1 (0.52) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL15880285 0.82 SORT1 (0.55) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL16377908 0.81 SORT1 (0.52) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL19151039 0.81 KMT2A (0.53) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL30930477 0.81 SORT1 (0.51) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL20310370 0.81 SORT1 (0.51) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL6383413 0.79 SORT1 (0.50) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL19154013 0.79 MTNR1B (0.56) SORT1KCNK3KCNK9MEN1KMT2A
SCHEMBL19308468 0.78 KCNB1 (0.56) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL14920872 0.77 SORT1 (0.48) SORT1KCNK3KCNK9CNR1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed