SCHEMBL6442857

SCHEMBL6442857

C=Cc1ccc(CN(C)C)cc1.C=Cc1ccc(CN(CC)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ACHE P22303 2/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PYCR1 P32322 1/20 0.37

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
SCHEMBL94062 0.93 HRH3 (0.59) HRH3HDAC6ALDH1A1HDAC8ACHE
Hydrochloric Acid SCHEMBL20586696 0.91 HRH3 (0.57) HRH3HDAC6ALDH1A1HDAC8ACHE
SCHEMBL465236 0.89 HRH3 (0.56) HRH3HDAC6HDAC3ALDH1A1TSHR
Ethane SCHEMBL6027727 0.87 HRH3 (0.54) HRH3HDAC6HDAC3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1396391 0.87 HRH3 (0.54) HRH3HDAC6HDAC3ALDH1A1TSHR
SCHEMBL26686938 0.84 HRH3 (0.70) HRH3HDAC6ALDH1A1TSHRHDAC8
SCHEMBL14732595 0.82 HRH3 (0.53) HRH3ALDH1A1PYCR1
Styrene SCHEMBL28826718 0.81 ALDH1A1 (0.59) HRH3HDAC6HDAC3ALDH1A1TSHR
SCHEMBL28699216 0.81 HRH3 (0.48) HRH3HDAC6HDAC3ALDH1A1TSHR
Benzene SCHEMBL10537623 0.81 ALDH1A1 (0.54) HRH3HDAC6HDAC3ALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6866981-B2 Mixture of cationic polymer containing unsaturated aromatic compound and sulfonated aromatic compound, photoinitiator and acid generator MITSUBISHI PAPER MILLS LIMITED (JP) 2005-03-15 US disclosed
US-20030190548-A1 Mixture of cationic polymer containing unsaturated aromatic compound and sulfonated aromatic compound, photoinitiator and acid generator MITSUBISHI PAPER MILLS LIMITED (JP) 2003-10-09 US disclosed