SCHEMBL9928436

SCHEMBL9928436

CNCNc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
TDP1 Q9NUW8 6/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SNCA P37840 1/20 0.35
CCR6 P51684 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL8091014 0.78 TDP1 (0.44) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL2519558 0.76 TSHR (0.55) MAPTTDP1ALDH1A1TSHRMEN1
SCHEMBL11514511 0.74 MAPT (0.45) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL8415102 0.73 TSHR (0.51) TDP1ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL11526837 0.72 MAPT (0.54) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL9514738 0.71 CYP1A2 (0.49) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL30628745 0.71 LMNA (0.46) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL9928431 0.70 LMNA (0.49) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL7558393 0.70 HCAR3 (0.42) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL6901942 0.70 MAPT (0.67) MAPTTDP1ALDH1A1L3MBTL1MEN1

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-20120149866-A1 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-06-14 US disclosed
US-8101708-B2 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-01-24 US disclosed
US-20110172385-A1 Solvent resistant polymers MOHANTY DILLIP K 2011-07-14 US disclosed
US-7915377-B2 Solvent resistant polymers CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES (US) 2011-03-29 US disclosed
US-20110009595-A1 SOLVENT RESISTANT POLYMERS MOHANTY DILLIP K 2011-01-13 US disclosed