SCHEMBL16601878

SCHEMBL16601878

COc1nc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
MERTK Q12866 1/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.38
AGTR1 P30556 1/20 0.38
MAPK1 P28482 1/20 0.37
GPR35 Q9HC97 1/20 0.37
LMNA P02545 3/20 0.37
GALR2 O43603 1/20 0.37
POLB P06746 1/20 0.37
PIN1 Q13526 1/20 0.37
ERN1 O75460 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
SCHEMBL10781069 0.88 ALDH1A1 (0.45) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL1558867 0.87 CYP1A2 (0.41) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL215155 0.87 CYP1A2 (0.41) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL25604907 0.84 L3MBTL1 (0.40) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL30234676 0.84 L3MBTL1 (0.40) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL9432156 0.83 ALDH1A1 (0.40) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL27831883 0.82 TSHR (0.47) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL19171917 0.81 MERTK (0.42) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL31330065 0.80 ALDH1A1 (0.40) ALDH1A1HTTTDP1MERTKCYP3A4
SCHEMBL30475586 0.80 ALDH1A1 (0.42) ALDH1A1HTTTDP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9082983-B1 Solution processable thin-film transistors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-07-14 US disclosed
US-8993713-B1 Solution processable n-type ladder polymer for hetero-junction devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed