SCHEMBL6153980

SCHEMBL6153980

Cc1c(Br)n[nH]c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PRKDC P78527 1/20 0.47
APOBEC3G Q9HC16 3/20 0.45
NOTUM Q6P988 1/20 0.44
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
XDH P47989 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL6154401 0.81 TDP1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8493201 0.74 TDP1 (0.50) APOBEC3GNOTUMACHEHSD17B10XDH
SCHEMBL25339605 0.71 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30639651 0.71 ACHE (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3954857 0.69 XDH (0.54) APOBEC3GNOTUMACHEHSD17B10XDH
SCHEMBL25337476 0.69 MMP2 (0.55) NOTUMTDP1ALDH1A1MAPTMEN1
SCHEMBL18740729 0.69 ABCC8 (0.60) NOTUMXDHTDP1ALDH1A1MAPT
SCHEMBL25792266 0.69 MAPT (0.40) TDP1KDM4EALDH1A1MAPTMEN1
SCHEMBL9515944 0.68 KDM4E (0.59) ACHEHSD17B10TDP1KDM4EALDH1A1
SCHEMBL25250444 0.68 MAPT (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 WO disclosed