SCHEMBL6154401

SCHEMBL6154401

Cc1n[nH]c(-c2ccc([N+](=O)[O-])cc2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
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 2/20 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
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.42
GYS1 P13807 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6153980 0.81 PIK3CD (0.47) TDP1KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL8493201 0.81 TDP1 (0.50) TDP1KDM4EALDH1A1APOBEC3GNOTUM
SCHEMBL25339605 0.77 PIK3CD (0.43) TDP1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL6155594 0.75 PIK3CD (0.42) TDP1KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL3488188 0.75 MAPK14 (0.41) KDM4EALDH1A1APOBEC3GNOTUMHSD17B10
SCHEMBL16225421 0.74 AKT2 (0.50) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL7529478 0.74 KDM4E (0.57) TDP1KDM4EALDH1A1APOBEC3GNOTUM
SCHEMBL6157209 0.72 NOTUM (0.41) TDP1KDM4EALDH1A1NOTUMHSD17B10
SCHEMBL22126040 0.72 TDP1 (0.48) TDP1KDM4EALDH1A1APOBEC3GNOTUM
SCHEMBL25250444 0.71 MAPT (0.49) TDP1KDM4EALDH1A1PIK3CDPIK3CA

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