SCHEMBL5475248

SCHEMBL5475248

N=C(N)NNC(=O)[C@@H](N)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ESR2 Q92731 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NPY1R P25929 1/20 0.39
PTGS2 P35354 1/20 0.39
OPRD1 P41143 1/20 0.39
MTOR P42345 1/20 0.39
HK2 P52789 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PMP22 Q01453 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL15250976 0.78 PDCD1LG2 (0.50) PDCD1LG2CD274ESR2KDM4EALDH1A1
SCHEMBL31717387 0.77
SCHEMBL19835923 0.73
SCHEMBL22306291 0.70 GLS (0.33) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL31192246 0.69
SCHEMBL574720 0.69
SCHEMBL2208197 0.69
SCHEMBL2484491 0.69
SCHEMBL2208194 0.69
Hydrochloric Acid SCHEMBL30606848 0.68 KDM4E (0.41) PDCD1LG2CD274ESR2KDM4EALDH1A1

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
US-20070039235-A1 Hardenable termite-controlling composition JAPAN ENVIROCHEMICALS, LTD. (JP) 2007-02-22 US disclosed