SCHEMBL27890220

SCHEMBL27890220

CC(=O)NCC[O].Nc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DHFR P00374 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F13A1 P00488 1/20 0.44
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
HIF1A Q16665 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ACHE P22303 1/20 0.41
PAOX Q6QHF9 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41

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
SCHEMBL149184 0.82
SCHEMBL2715966 0.80 KDM4E (0.70) KDM4ESMN1; SMN2F13A1HIF1ALMNA
SCHEMBL10826205 0.79 MTNR1A (0.50) KDM4ETSHRSMN1; SMN2DHFRTDP1
SCHEMBL10354336 0.76 MTNR1A (0.73) KDM4ETSHRSMN1; SMN2TDP1MTNR1A
SCHEMBL9214290 0.76 LOX (0.57) KDM4ETSHRSMN1; SMN2DHFRTDP1
SCHEMBL9212481 0.76 MTNR1A (0.70) TSHRSMN1; SMN2MTNR1AMTNR1BMAPK1
SCHEMBL1800569 0.75 KMT2A (0.63) ALDH1A1KMT2AMAPT
SCHEMBL2817408 0.74 ESRRG (0.46) KDM4ETSHRSMN1; SMN2DHFRTDP1
Hydrochloric Acid SCHEMBL10744056 0.73 KMT2A (0.61) ALDH1A1KMT2AMAPT
SCHEMBL8445226 0.73 MTNR1A (0.45) KDM4ETSHRSMN1; SMN2DHFRTDP1

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
CN-1847325-B Dye composition with a reduced content of starting materials and dyeing process OREAL 2012-09-05 CN disclosed