SCHEMBL9928431

SCHEMBL9928431

CNCNc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 9/20 0.44
ALDH1A1 P00352 4/20 0.44
RECQL P46063 2/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KAT2B Q92831 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
HCAR3 P49019 1/20 0.38

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
SCHEMBL5311206 0.74 TSHR (0.56) MAPTALDH1A1RECQLTDP1CYP3A4
SCHEMBL2352240 0.72 TSHR (0.54) LMNAMAPTALDH1A1RECQLHTT
SCHEMBL3633382 0.72 HCAR3 (0.56) LMNAMAPTALDH1A1RECQLHTT
SCHEMBL13206377 0.72 MAPK1 (0.48) LMNAMAPTALDH1A1RECQLHTT
SCHEMBL8053279 0.72 TSHR (0.58) MAPTALDH1A1RECQLHTTTDP1
SCHEMBL11821865 0.72 MAPT (0.53) LMNAMAPTALDH1A1RECQLHTT
SCHEMBL13206384 0.72 LMNA (0.61) LMNAMAPTALDH1A1HTTTDP1
SCHEMBL11223415 0.71 RECQL (0.51) LMNAMAPTALDH1A1RECQLHTT
SCHEMBL13206378 0.70 KMT2A (0.46) LMNAMAPTALDH1A1RECQLHTT
SCHEMBL13875745 0.70 LMNA (0.54) LMNAMAPTALDH1A1HTTL3MBTL1

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 6 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
US-7776997-B2 Solvent resistant polymers CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES (US) 2010-08-17 US disclosed