SCHEMBL18549022

SCHEMBL18549022

O=[N+]([O-])c1ccc(NCCCCCCCCNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
GLA P06280 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 8/20 0.63
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
GAA P10253 2/20 0.57
CHRM2 P08172 1/20 0.56
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 1/20 0.53
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL14117517 1.00 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL4951837 0.94 ALDH1A1 (0.73) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL9011397 0.91 MAPT (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL3476585 0.91 MAPT (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL3476172 0.91 MAPT (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL4953010 0.91 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL6673456 0.91 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL3476080 0.91 MAPT (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL8820191 0.91 ALDH1A1 (0.57) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL10406550 0.91 MAPT (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD

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-11149165-B2 Coatings with molecular flexibility for ice adhesion mitigation UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2021-10-19 US disclosed
US-10377916-B2 Coatings with molecular flexibility for ice adhesion mitigation UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2019-08-13 US disclosed
WO-2017040797-A1 COATINGS WITH MOLECULAR FLEXIBILITY FOR ICE ADHESION MITIGATION UNITED STATES OF AMERICAN as represented by THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2017-03-09 WO disclosed
US-20170058168-A1 Coatings with Molecular Flexibility for Ice Adhesion Mitigation U.S.A AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2017-03-02 US disclosed