SCHEMBL11110528

SCHEMBL11110528

CCO/C(C#N)=C/C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11110531 1.00 TSHR (0.33) TSHRNPSR1ALDH1A1L3MBTL1THRB
SCHEMBL15913551 0.69 NPSR1 (0.46) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL1636052 0.69 KMT2A (0.45) NPSR1ALDH1A1L3MBTL1ATMMEN1
SCHEMBL1636050 0.69 KMT2A (0.45) NPSR1ALDH1A1L3MBTL1ATMMEN1
SCHEMBL23199631 0.69 HPGD (0.32)
SCHEMBL23199629 0.69 HPGD (0.32)
SCHEMBL22993864 0.68 GLO1 (0.40) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL2987392 0.68 GLO1 (0.40) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL29117593 0.68 GLO1 (0.40) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL16445418 0.68 GLO1 (0.40) NPSR1ALDH1A1L3MBTL1THRBATM

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-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed