SCHEMBL2865551

SCHEMBL2865551

COc1ccc(CCC(N)=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.54
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ GRM2 Q14416 1/20 0.46
▸ GPR183 P32249 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ DAO P14920 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
SCHEMBL5008477 0.92 NNMT (0.53) NNMTMKNK1MKNK2GRM2GPR183
Hydrochloric Acid SCHEMBL5012100 0.91 NNMT (0.51) NNMTMKNK1MKNK2GRM2GPR183
SCHEMBL6069860 0.85 P4HTM (0.58) NNMTGPR183FFAR1MEN1KMT2A
SCHEMBL29886594 0.85 P4HTM (0.58) NNMTGPR183FFAR1MEN1KMT2A
SCHEMBL5760402 0.84 KDM4E (0.47) NNMTGPR183MEN1KMT2AKDM4E
SCHEMBL29590839 0.83 NNMT (0.57) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL2371616 0.83 NNMT (0.57) NNMTMKNK1MKNK2SIRT6MEN1
Hydrochloric Acid SCHEMBL29629381 0.82 NNMT (0.56) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL20665279 0.81 CYP24A1 (0.49) NNMTMKNK1MKNK2GRM2GPR183
SCHEMBL2870123 0.81 NNMT (0.44) NNMTMKNK1MKNK2GRM2GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 — — EP claimed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 — — WO claimed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 — — EP disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 — — WO disclosed
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