SCHEMBL7601682

SCHEMBL7601682

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
TSHR P16473 1/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CHRM2 P08172 1/20 0.47
CNR1 P21554 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL9628053 0.84 KCNH2 (0.73) KCNH2MEN1KMT2ACA1CA2
SCHEMBL7601686 0.84 MEN1 (0.40) KCNH2MEN1KMT2ACA1CA2
SCHEMBL22749543 0.83 CHRM2 (0.58) MEN1KMT2ACA1CA2CA12
SCHEMBL16681892 0.80 CA1 (0.77) KCNH2MEN1KMT2ACA1CA2
SCHEMBL8780928 0.78 KCNH2 (0.60) KCNH2MEN1KMT2ACA1CA2
SCHEMBL28487383 0.78 MEN1 (0.75) KCNH2MEN1KMT2ACA1CA2
SCHEMBL22622364 0.78 KCNH2 (0.56) KCNH2MEN1KMT2ACA1CA2
SCHEMBL6245565 0.78 TSHR (0.58) KCNH2MEN1KMT2ACA1CA2
SCHEMBL8956380 0.78 TSHR (0.58) KCNH2KMT2ATSHRMAPTALDH1A1
SCHEMBL13012425 0.77 POLB (0.43) KCNH2MEN1KMT2ACA1CA2

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