SCHEMBL22795111

SCHEMBL22795111

C1=CC(=NOc2ccccc2)C=CC1=NOc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.38
KCNA3 P22001 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SRC P12931 1/20 0.31
ALOX15 P16050 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
SCHEMBL21261970 0.74 KMT2A (0.46) TDP1L3MBTL1ALDH1A1
SCHEMBL5265265 0.70 LTA4H (0.33) LTA4HTSHRCA4CA5ACA5B
SCHEMBL247036 0.67
SCHEMBL3897634 0.67
SCHEMBL872933 0.67
SCHEMBL7363159 0.67 LTA4H (0.45) LTA4HTSHRCA4KCNA3TDP1
SCHEMBL306544 0.67
SCHEMBL247035 0.67
SCHEMBL9052201 0.67
SCHEMBL27231468 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392304-A1 FLUORINE RUBBER COMPOSITION AND CROSSLINKED FLUORINE RUBBER PRODUCT DAIKIN INDUSTRIES, LTD. (JP) 2020-12-17 US disclosed