SCHEMBL9701812

SCHEMBL9701812

NC(=O)N(O)CCn1ccc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
KMT2A Q03164 1/20 0.51
MAPK1 P28482 3/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1520197 0.85 HTR2A (0.62) LMNAHTR2AHTR2CCDK4CCND1
SCHEMBL7349228 0.78 LMNA (1.00) LMNAHTR2AHTR2CCDK4CCND1
SCHEMBL11366447 0.74 CDK4 (1.00) LMNAHTR2AHTR2CCDK4CCND1
SCHEMBL1519806 0.74 KMT2A (0.71) LMNACDK4CCND1KMT2AMAPK1
SCHEMBL29955957 0.74 KMT2A (0.71) LMNACDK4CCND1KMT2AMAPK1
SCHEMBL4060777 0.74 HTR2C (1.00) LMNAHTR2AHTR2CCDK4CCND1
SCHEMBL5324291 0.73 LMNA (0.59) LMNAHTR2AHTR2CCDK4CCND1
Fumaric Acid SCHEMBL23927822 0.72 HTR2C (0.75) LMNAHTR2AHTR2CCDK4CCND1
Fumaric Acid SCHEMBL29435341 0.72 HTR2C (0.75) LMNAHTR2AHTR2CCDK4CCND1
SCHEMBL29684637 0.72 LMNA (0.73) LMNAHTR2AHTR2CCDK4CCND1

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-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed