SCHEMBL14789459

SCHEMBL14789459

NCC/C=C(/Cc1cn(-c2ccc(Cl)cc2)cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.41
▸ CPB2 Q96IY4 6/20 0.41
▸ CPB1 P15086 4/20 0.41
▸ EP300 Q09472 1/20 0.32
▸ PHF8 Q9UPP1 1/20 0.32
▸ GRIK1 P39086 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NR2E1 Q9Y466 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CTBP2 P56545 1/20 0.30
▸ QPCT Q16769 1/20 0.30

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
SCHEMBL14789403 0.89 CPB2 (0.51) CPB2CPB1GRIK1PDE3BPDE3A
SCHEMBL14789411 0.88 CPB2 (0.41) CPB2CPB1PDE3BPDE3AKDM4E
SCHEMBL14789425 0.88 CPB2 (0.41) CPB2CPB1PDE3BPDE3ALMNA
SCHEMBL14789635 0.87 CPB2 (0.45) MAP4K4CPB2CPB1GRIK1PDE3B
SCHEMBL14789410 0.86 CPB2 (0.40) CPB2CPB1PDE3BPDE3AALDH1A1
SCHEMBL14789624 0.85 CPB2 (0.56) CPB2CPB1LMNAALDH1A1MAPT
SCHEMBL14789483 0.85 CPB2 (0.41) CPB2CPB1CTBP2HSD11B1
SCHEMBL14789437 0.85 CPB2 (0.44) CPB2CPB1NR2E1NOTUM
SCHEMBL14789436 0.82 CPB1 (0.37) CPB2CPB1HSD11B1
SCHEMBL14790056 0.80 CPB2 (0.40) CPB2CPB1KDM4ECTBP2HSD11B1

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-2013039202-A1 NOVEL ACRYLIC ACID DERIVATIVE 第一三共株式会社 (JP) 2013-03-21 — — WO disclosed
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