SCHEMBL14538043

SCHEMBL14538043

O=S(=O)(c1ccc(Br)cc1)N(CCO)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
KCNH2 Q12809 3/20 0.48
SLC6A3 Q01959 2/20 0.48
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ESR2 Q92731 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PKM P14618 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
SCHEMBL14538164 0.86 SLC6A2 (0.51) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL24762019 0.86 SLC6A2 (0.57) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL14538099 0.85 SLC6A2 (0.50) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL3561029 0.83 SLC6A2 (0.55) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL5463692 0.80 LMNA (0.41) LMNAALDH1A1GAANPSR1PKM
SCHEMBL10327911 0.80 SLC6A4 (0.75) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL549100 0.78 CNR1 (0.47) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL17277410 0.74 SLC6A2 (0.53) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL14490326 0.74 GPR119 (0.48) ALDH1A1NPSR1
SCHEMBL29764445 0.73 SLC6A2 (0.57) SLC6A2SLC6A4KCNH2SLC6A3LMNA

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
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO disclosed