SCHEMBL7762887

SCHEMBL7762887

CC(C)(N)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SNCA P37840 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL25784184 0.86 SMN1; SMN2 (0.55) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL25784185 0.83 SMN1; SMN2 (0.47) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL7762843 0.81 TDP1 (0.44) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL7762897 0.79 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL85657 0.79 PDE7A (0.50) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL30279254 0.75 SMN1; SMN2 (0.50) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL395055 0.75 SMN1; SMN2 (0.50) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL30317899 0.73 PTPRC (0.54) TDP1ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL3277269 0.73 PTPRC (0.54) TDP1ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL3523467 0.73 ALDH1A1 (0.58) TDP1ALDH1A1CYP3A4TSHRHTT

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-0701554-B1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS ISLE OF MAN LTD (GB) 2001-06-27 EP disclosed
WO-1995027706-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1995-10-19 WO disclosed