SCHEMBL9218501

SCHEMBL9218501

CC(C)(C)OC(=O)n1c(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c(Br)c2cc(CBr)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
AGTR1 P30556 1/20 0.35
NR1H2 P55055 8/20 0.32
NR1H3 Q13133 2/20 0.32
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 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
SCHEMBL9846726 0.89 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9661962 0.80 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846804 0.80 AGTR1 (0.45) AGTR1
SCHEMBL9661956 0.77 CCNB2 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846675 0.76 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846776 0.75 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL8545582 0.73 AGTR1 (0.39) AGTR1
SCHEMBL8545586 0.73 AGTR1 (0.38) AGTR1
SCHEMBL9177078 0.70 AGTR1 (0.39) AGTR1POLB
SCHEMBL9311241 0.69 AGTR1 (0.35) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520724-B1 Angiotensin II antagonists ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5281613-A Heterocyclic ring substituted benzofuran, benzothiofuran, or indole derivative IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US disclosed
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed