SCHEMBL9846733

SCHEMBL9846733

Cc1ccc2c(c1)c(Br)c(-c1ccccc1[N+](=O)[O-])n2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3B P49841 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALPL P05186 1/20 0.38
ALDH1A1 P00352 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
TUBB4A P04350 1/20 0.35

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
SCHEMBL9846776 0.87 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846745 0.81 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846756 0.78 NR1H2 (0.48) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9846726 0.74 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL15280123 0.72 CHRM2 (0.50) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29540425 0.72 NR1H2 (0.39) MAPTALDH1A1LMNAMET
SCHEMBL2186140 0.71 CCNB2 (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2061332 0.71 HSD11B1 (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9846769 0.69 NR1H2 (0.48)
SCHEMBL9846675 0.69 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3

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