SCHEMBL9807401

SCHEMBL9807401

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.59
CA9 Q16790 3/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
SCN2A Q99250 2/20 0.58
ESR1 P03372 4/20 0.53
TDP1 Q9NUW8 1/20 0.52
LPAR1 Q92633 1/20 0.50
LPAR5 Q9H1C0 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ESR2 Q92731 2/20 0.47
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL9807402 0.89 CA12 (0.67) CA12CA9CA1CA2SCN2A
SCHEMBL9468420 0.84 SCN2A (0.74) CA12CA9CA1CA2SCN2A
SCHEMBL10381359 0.83 SCN2A (0.82) CA12CA9CA1CA2SCN2A
SCHEMBL7281976 0.80 SCN2A (0.83) CA12CA9CA1CA2SCN2A
SCHEMBL6581162 0.79 CA12 (0.67) CA12CA9CA1CA2SCN2A
SCHEMBL9807403 0.79 CA12 (0.58) CA12CA9CA1CA2SCN2A
SCHEMBL406359 0.79 CA12 (0.72) CA12CA9CA1CA2SCN2A
SCHEMBL28911681 0.78 CA12 (0.65) CA12CA9CA1CA2SCN2A
SCHEMBL4234954 0.78 TDP1 (0.80) CA12CA9CA1CA2SCN2A
SCHEMBL9807389 0.77 SCN2A (0.63) CA12CA9CA1CA2SCN2A

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-4994545-A Polyetherimide ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4990627-A Polyetherimides and their production ETHYL CORPORATION (US) 1991-02-05 US disclosed