SCHEMBL9550828

SCHEMBL9550828

C=C1N(C)c2ccccc2C1(C)C.CN1CC(C)(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
HTT P42858 8/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 11/20 0.38
KMT2A Q03164 9/20 0.38
MEN1 O00255 8/20 0.38
KDM4E B2RXH2 7/20 0.38
GAA P10253 5/20 0.37
ALDH1A1 P00352 5/20 0.37
THRB P10828 5/20 0.37
RECQL P46063 5/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
APOBEC3A P31941 1/20 0.36

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
SCHEMBL8397425 0.85 HTT (0.51) HTTLMNAMAPTKMT2AMEN1
SCHEMBL918366 0.85 HTT (0.51) HTTLMNAMAPTKMT2AMEN1
SCHEMBL538625 0.83 NOTUM (0.55) NOTUMLMNAMAPTKMT2AMEN1
SCHEMBL29450354 0.83 NOTUM (0.55) NOTUMLMNAMAPTKMT2AMEN1
Iodide SCHEMBL28271700 0.82 NOTUM (0.53) NOTUMLMNAMAPTKMT2AMEN1
Acetaldehyde SCHEMBL28306650 0.78 LMNA (0.57) HTTLMNAMAPTKMT2AMEN1
Alcohol SCHEMBL27668500 0.78 MAPT (0.45) HTTLMNAMAPTKMT2AMEN1
O-Xylene SCHEMBL8919296 0.77 NOTUM (0.49) NOTUMHTTLMNAMAPTKMT2A
Sulfuric Acid SCHEMBL29018862 0.76 LMNA (0.47) HTTLMNAMAPTKMT2AMEN1
Perchlorate SCHEMBL30037037 0.74 NOTUM (0.50) NOTUMCNR2SLC18A3SIGMAR1

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-5230986-A Photohardening compositions with free radical polymerizable compounds STEREOGRAPHICS LIMITED PARTNERSHIP (US) 1993-07-27 US disclosed