SCHEMBL7995228

SCHEMBL7995228

CCOC(=O)c1nc(-c2ccccc2[N+](=O)[O-])[nH]c1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 2/20 0.47
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
TARBP2 Q15633 2/20 0.44
EIF4E P06730 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
AR P10275 1/20 0.41
GUSB P08236 1/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7978366 0.86 GAA (0.51) GAAMGAMSIMGAM2EIF4E
SCHEMBL7988441 0.83 AR (0.55) GAATARBP2ARGABRA2GABRB2
SCHEMBL7989585 0.82 TARBP2 (0.46) GAATARBP2GABRA2GABRB2GABRG2
SCHEMBL7977756 0.81 AR (0.48) GAAARHSD17B10ALDH1A1
SCHEMBL7989862 0.80 AR (0.54) CACNA1DGAATARBP2ARALDH1A1
SCHEMBL28914603 0.80 AR (0.54) CACNA1DGAATARBP2ARALDH1A1
SCHEMBL7992024 0.79 AR (0.58) GAAARGABRA2GABRB2
SCHEMBL7988187 0.78 TARBP2 (0.45) GAATARBP2GABRA2GABRB2GABRG2
SCHEMBL7988821 0.77 KMT2A (0.52) GAAMGAMSIMGAM2EIF4E
SCHEMBL7995926 0.77 KDM4E (0.49) GAATARBP2GABRA2GABRB2GABRG2

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed