SCHEMBL9928435

SCHEMBL9928435

CCN(c1cc(N(CC)[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH3A1 P30838 2/20 0.45
HCAR3 P49019 4/20 0.44
VCAM1 P19320 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 3/20 0.36

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
SCHEMBL20595118 0.78 HSD17B10 (0.46) ALDH1A1KDM4EALDH3A1MAPK1MEN1
SCHEMBL11365798 0.75 TSHR (0.43) ALDH1A1KDM4EALDH3A1HCAR3VCAM1
SCHEMBL30832997 0.74 KMT2A (0.46) ALDH1A1KDM4EVCAM1HTTMAPK1
SCHEMBL13875747 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EALDH3A1HCAR3VCAM1
SCHEMBL9999993 0.74 KDM4E (0.44) ALDH1A1KDM4EALDH3A1HCAR3HTT
SCHEMBL3110151 0.70 ALDH3A1 (0.54) ALDH1A1KDM4EALDH3A1HCAR3HTT
SCHEMBL9928438 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EALDH3A1HTTMAPK1
SCHEMBL8773116 0.69 ALDH3A1 (0.53) ALDH1A1KDM4EALDH3A1HCAR3VCAM1
SCHEMBL10000933 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EALDH3A1HCAR3VCAM1
SCHEMBL7052987 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EALDH3A1HCAR3HTT

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