SCHEMBL3143147

SCHEMBL3143147

CN(C)c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
APP P05067 1/20 0.56
MAPT P10636 7/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
PHLPP2 Q6ZVD8 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL8974165 0.87 NPC1 (0.53) RAB9ANPC1KMT2AMEN1APP
SCHEMBL27617094 0.85 RAB9A (0.56) RAB9ANPC1KMT2AMEN1APP
SCHEMBL3135082 0.82 KEAP1 (0.51) RAB9ANPC1KMT2AMEN1APP
SCHEMBL7035834 0.82 ACHE (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5528929 0.79 MAPT (0.70) RAB9ANPC1KMT2AMEN1APP
SCHEMBL6510195 0.79 MAPT (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL8702382 0.79 MEN1 (0.56) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7035833 0.79 NPC1 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL22164075 0.79 ELANE (0.48) RAB9ANPC1MAPTCYP1A2LMNA
SCHEMBL28596462 0.79 ALDH1A1 (0.57) RAB9ANPC1KMT2AMEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100000606-A1 ORGANIC PHOTOSENSITIVE DEVICES THOMPSON MARK E 2010-01-07 US disclosed
EP-1728285-A1 HEAVY METAL COMPLEXES FOR ORGANIC PHOTOSENSITIVE DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-12-06 EP disclosed
WO-2005098990-A1 HEAVY METAL COMPLEXES FOR ORGANIC PHOTOSENSITIVE DEVICES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 WO disclosed
US-20050211974-A1 Organic photosensitive devices UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2005-09-29 US disclosed