SCHEMBL8213720

SCHEMBL8213720

C=CCN(CC=C)C(=Cc1ccccc1)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
RAB9A P51151 1/20 0.35
SLC2A1 P11166 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
CCR6 P51684 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL4940758 0.77 CYP1A2 (0.45) ALDH1A1SMN1; SMN2CYP1A2KDM4ELMNA
SCHEMBL7758314 0.72 CYP1A2 (0.41) ALDH1A1SMN1; SMN2CYP1A2KDM4ELMNA
SCHEMBL9811808 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP1A2KDM4ETDP1
SCHEMBL8519976 0.69 RAB9A (0.47) ALDH1A1SMN1; SMN2CYP1A2RAB9AKDM4E
SCHEMBL8520463 0.66 KDM4E (0.49) ALDH1A1SMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL9811807 0.65 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2KDM4ELMNA
Iodide SCHEMBL7024152 0.65 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9AKDM4ETDP1
SCHEMBL20887490 0.63 CYP1A2 (0.47) ALDH1A1SMN1; SMN2CYP1A2KDM4ELMNA
SCHEMBL7782968 0.63 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CYP1A2RAB9AKDM4E
SCHEMBL11128936 0.62 CYP1A2 (0.46) ALDH1A1SMN1; SMN2CYP1A2KDM4ELMNA

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
US-6033774-A Self-assembled superlattices and waveguides prepared for use therewith NORTHWESTERN UNIVERSITY (US) 2000-03-07 US disclosed
WO-1996018702-A1 SELF-ASSEMBLED SUPERLATTICES AND WAVEGUIDES PREPARED FOR USE THEREWITH NORTHWESTERN UNIVERSITY (US) 1996-06-20 WO disclosed
US-5156918-A SELF-ASSEMBLED SUPER LATTICES NORTHWESTERN UNIVERSITY (US) 1992-10-20 US disclosed
WO-1992017333-A1 SELF-ASSEMBLED SUPER LATTICES NORTHWESTERN UNIVERSITY (US) 1992-10-15 WO disclosed