SCHEMBL9952590

SCHEMBL9952590

COc1cc(C(=O)C(N)=O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
LOX P28300 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
NNMT P40261 3/20 0.45
PROKR1 Q8TCW9 2/20 0.43
CTSA P10619 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
FFAR1 O14842 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38

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
SCHEMBL30281222 0.86 NNMT (0.56) KCNK3KCNK9LOXLOXL2NNMT
SCHEMBL445784 0.86 NNMT (0.56) KCNK3KCNK9LOXLOXL2NNMT
Hydrochloric Acid SCHEMBL7022071 0.84 NNMT (0.54) KCNK3KCNK9LOXLOXL2NNMT
SCHEMBL9952643 0.84 NNMT (0.54) KCNK3KCNK9LOXLOXL2NNMT
SCHEMBL27841468 0.82 KCNK3 (0.52) KCNK3KCNK9LOXLOXL2NNMT
SCHEMBL12640026 0.80 KCNK3 (0.55) KCNK3KCNK9LOXLOXL2NNMT
SCHEMBL229446 0.80 KDM4C (0.57) KCNK3KCNK9LOXLOXL2PROKR1
SCHEMBL29640109 0.80 KCNK3 (0.55) KCNK3KCNK9LOXLOXL2NNMT
SCHEMBL29556902 0.80 KDM4C (0.57) KCNK3KCNK9LOXLOXL2PROKR1
SCHEMBL23539981 0.79 PRSS1 (0.49) KCNK3KCNK9LOXLOXL2NNMT

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-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