SCHEMBL6843369

SCHEMBL6843369

Cc1cc(C)cc(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL6646888 0.90 ADRA2B (0.66) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6644025 0.89 ADRA2B (0.69) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6838344 0.87 ALDH1A1 (0.75) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6643434 0.87 ADRA2B (0.70) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6843458 0.86 ADRA2B (0.65) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6646799 0.85 ALDH1A1 (0.67) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6645605 0.85 GAA (0.75) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6644703 0.83 ADRA2B (0.64) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL6669539 0.82 KMT2A (0.60) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL7081755 0.82 ADRA2B (0.60) ADRA2BSMN1; SMN2ALDH1A1CYP3A4TDP1

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-6767909-B2 CARDIOVASCULAR DISORDERS; VASOCONSTRICTION OY JUVANTIA PHARMA LTD. (FI) 2004-07-27 US disclosed