SCHEMBL7601686

SCHEMBL7601686

C=CCNCCc1ccc([N+](=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KCNH2 Q12809 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
CNR1 P21554 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7601682 0.84 KCNH2 (0.56) MEN1KMT2AKCNH2CA12CA1
SCHEMBL10282629 0.78 MEN1 (0.43) MEN1KMT2AKCNH2CA12CA1
SCHEMBL15900019 0.78 TMEM97 (0.52) CA1CA2ALDH1A1KDM4E
SCHEMBL17626920 0.74 TAAR1 (0.52) CA12CA1CA2CA4CNR1
SCHEMBL14342284 0.74 TMEM97 (0.57) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL252240 0.73 KCNH2 (0.56) KCNH2ALDH1A1MAPTTSHRSMN1; SMN2
Water SCHEMBL27458807 0.72 KCNH2 (0.55) KCNH2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL8655738 0.72 KCNH2 (0.55) KCNH2ALDH1A1MAPTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2236705 0.72 GAA (0.59) KCNH2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL10839600 0.70 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969323-B1 Material exhibiting compensation for polymerization-induced shrinkage and recording medium formed therefrom LUCENT TECHNOLOGIES INC (US) 2002-09-18 EP disclosed
US-6221536-B1 HOLOGRAPHY LUCENT TECHNOLOGIES INC. 2001-04-24 US disclosed
US-6124076-A Material exhibiting compensation for polymerization-induced shrinkage and recording medium formed therefrom LUCENT TECHNOLOGIES INC. (US) 2000-09-26 US disclosed
EP-0969323-A1 Material exhibiting compensation for polymerization-induced shrinkage and recording medium formed therefrom LUCENT TECHNOLOGIES INC. (US) 2000-01-05 EP disclosed