SCHEMBL9639665

SCHEMBL9639665

N#Cc1cccc(-c2[c]ccc([N+](=O)[O-])c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.42
ABCG2 Q9UNQ0 5/20 0.42
FBP1 P09467 3/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
RAD51 Q06609 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 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
SCHEMBL6373056 0.84 TSHR (0.53) LMNATSHRNPC1ALDH1A1MAPT
SCHEMBL11007233 0.83 CLK4 (0.49) CLK4XDHSLC22A12
SCHEMBL1820545 0.81 VCAM1 (0.46) VCAM1ABCG2KCNJ1KCNH2LMNA
SCHEMBL6435365 0.81 TSHR (0.53) VCAM1ABCG2FBP1KCNJ1KCNH2
SCHEMBL5096848 0.79 ALDH1A1 (0.47) LMNATSHRNPC1ALDH1A1MAPT
SCHEMBL11020276 0.78 ALDH1A1 (0.57) LMNATSHRNPC1ALDH1A1MAPT
SCHEMBL7679534 0.78 ALDH1A1 (0.57) ABCG2LMNATSHRALDH1A1MAPT
SCHEMBL6190377 0.77 FBP1 (0.42) VCAM1FBP1KCNJ1KCNH2CLK4
SCHEMBL29913891 0.77 VCAM1 (0.64) VCAM1FBP1KCNJ1KCNH2LMNA
SCHEMBL57152 0.77 VCAM1 (0.64) VCAM1FBP1KCNJ1KCNH2LMNA

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-5162473-A NEUTRAL AND ELECTRICALLY CONDUCTIVE POLY(HETEROCYCLIC VINYLENES) AND PROCESSES FOR PREPARING SAME ALLIED-SIGNAL (US) 1992-11-10 US disclosed
US-5159040-A Neutral and electrically conductive poly(heterocyclic vinylenes) and processes for preparing same ALLIED-SIGNAL INC. (US) 1992-10-27 US disclosed
US-5139703-A Neutral and electrically conductive poly(heterocyclic vinylenes) and processes for preparing same ALLIED-SIGNAL INC. (US) 1992-08-18 US disclosed
US-5068060-A Neutral and electrically conductive poly(heterocyclic vinylenes) and processes for preparing same ALLIED-SIGNAL INC. (US) 1991-11-26 US disclosed
WO-1991015534-A1 ELECTRICALLY CONDUCTIVE POLY(AROMATIC VINYLENES) AND POLY(HETEROAROMATIC VINYLENES) ALLIED-SIGNAL INC. (US) 1991-10-17 WO disclosed
US-4900782-A Stabilized polyelectrolyte precursors of poly(aromatic and heteroaromatic vinylenes) ALLIED-SIGNAL INC. (US) 1990-02-13 US disclosed