SCHEMBL5167539

SCHEMBL5167539

O=S(=O)(c1ccccc1)N(Br)CCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
KMT2A Q03164 3/20 0.46
HTR7 P34969 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CXCR4 P61073 2/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL5149238 0.81 SIGMAR1 (0.72) SIGMAR1KMT2AHTR7CXCR4PSEN1
SCHEMBL17333669 0.73 TDP1 (0.58) KMT2AMEN1
SCHEMBL28029094 0.73 HTR2A (0.48) SIGMAR1HTR7
SCHEMBL3856135 0.73 SLC6A2 (0.48) SIGMAR1KMT2AHTR7ALDH1A1SLC6A3
SCHEMBL14476103 0.71 MEN1 (0.73) SIGMAR1KMT2AHTR7ALDH1A1SLC6A3
SCHEMBL28092811 0.71 SIGMAR1 (0.58) SIGMAR1HTR7ALDH1A1CXCR4ATM
SCHEMBL7261119 0.70 TDP1 (0.69)
SCHEMBL13604236 0.70 KMT2A (0.71) SIGMAR1KMT2AHTR7ALDH1A1SLC6A3
SCHEMBL1682264 0.70 CXCR4 (0.53) SIGMAR1KMT2AALDH1A1CXCR4MEN1
SCHEMBL4271065 0.70 SIGMAR1 (0.97) SIGMAR1ALDH1A1CXCR4PSEN1PSEN2

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
EP-1809614-A2 BENZOTRIAZINE INHIBITORS OF KINASES Targegen, Inc. (US) 2007-07-25 EP disclosed
WO-2005096784-A2 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2005-10-20 WO disclosed