SCHEMBL5699028

SCHEMBL5699028

C=CC(C(=O)NN)N(C(C=C)C(=O)NN)C(C=C)C(=O)NN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSD P07339 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
SCHEMBL10998026 0.72 HIF1A (0.46) HIF1ASLC6A2SLC6A4BLMSLC6A3
SCHEMBL4551315 0.67 HIF1A (0.40) HIF1ACTSD
SCHEMBL4563219 0.62 HIF1A (0.36) HIF1ACTSD
SCHEMBL31664387 0.62 GRIK1 (0.45) HIF1ATSHRCYP2C19CTSD
SCHEMBL4413733 0.62 HIF1A (0.46) HIF1ATSHRNFKB1CTSD
SCHEMBL13817718 0.59
SCHEMBL4410145 0.59 HIF1A (0.48) HIF1ATSHRNFKB1CTSD
SCHEMBL6580898 0.58 HIF1A (0.65) HIF1ATSHRNFKB1CTSD
SCHEMBL218910 0.58 HIF1A (1.00) HIF1AMEN1TSHRNFKB1KMT2A
SCHEMBL714549 0.58 HIF1A (1.00) HIF1AMEN1TSHRNFKB1KMT2A

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
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed