SCHEMBL9846769

SCHEMBL9846769

CC(C)(C)OC(=O)n1c(-c2ccccc2[N+](=O)[O-])cc2cc(CBr)ccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.48
NR1H3 Q13133 3/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
BRD4 O60885 1/20 0.40
CREBBP Q92793 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
SCHEMBL9846756 0.86 NR1H2 (0.48) NR1H2NR1H3CA12CA9BRD4
SCHEMBL9846776 0.81 CCNB2 (0.42) NR1H2NR1H3
SCHEMBL9846773 0.79 AGTR1 (0.45) NR1H2NR1H3
SCHEMBL21629686 0.72 NR1H2 (0.40) NR1H2NR1H3CA12CA9BRD4
SCHEMBL903507 0.72 NR1H2 (0.44) NR1H2
SCHEMBL23320505 0.72 CYP19A1 (0.59) NR1H2NR1H3
SCHEMBL16030138 0.71 NR1H2 (0.47) NR1H2NR1H3CA12CA9
SCHEMBL2875418 0.71 NR1H2 (0.51) NR1H2NR1H3CA12CA9
SCHEMBL29540854 0.70 MAPT (0.43) NR1H2NR1H3BRD4
SCHEMBL12042731 0.70 CYP4F2 (0.43) NR1H2NR1H3

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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed