SCHEMBL3133571

SCHEMBL3133571

CN(C)c1ccc(-c2cc([N+](=O)[O-])ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.51
MAPT P10636 9/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL3143591 0.84 KEAP1 (0.57) MAPTTDP1ABL1RAB9ANPC1
SCHEMBL545799 0.79 ABL1 (0.53) MAPTCYP1A2CYP3A4TSHRL3MBTL1
SCHEMBL28419565 0.78 KEAP1 (0.57) MAPTTDP1RAB9ANPC1KEAP1
SCHEMBL826630 0.78 TSHR (0.50) MAPTTDP1CYP3A4TSHRL3MBTL1
SCHEMBL3143147 0.77 RAB9A (0.59) APPMAPTTDP1CYP1A2CYP3A4
SCHEMBL8621452 0.76 CHEK1 (0.58) APPMAPTTDP1CYP1A2CYP3A4
SCHEMBL5528929 0.75 MAPT (0.70) APPMAPTTDP1CYP1A2CYP3A4
SCHEMBL8619827 0.74 APP (0.50) APPMAPTTDP1CHEK1AURKA
SCHEMBL6769652 0.74 ALDH1A1 (0.42) MAPTTDP1CYP1A2CYP3A4TSHR
SCHEMBL28761651 0.74 ALDH1A1 (0.41) MAPTTDP1TSHRL3MBTL1ABL1

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 5 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
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