SCHEMBL10285253

SCHEMBL10285253

O=CCN1C(=O)CNc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.54
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OGFRL1 Q5TC84 1/20 0.41
BRD4 O60885 1/20 0.39
GAA P10253 2/20 0.38
HSD17B3 P37058 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
RIN1 Q13671 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11500353 0.86 GAA (0.54) BRPF1GSK3AGSK3BOPRM1OPRD1
SCHEMBL17529389 0.79 KMT2A (0.41) BRPF1GSK3AGSK3BBRD4LMNA
SCHEMBL11455051 0.77 BRPF1 (0.63) BRPF1GSK3AGSK3BOPRM1OPRD1
SCHEMBL9698792 0.76 TSHR (0.57) BRPF1GSK3AGSK3BOPRM1OPRD1
SCHEMBL10285867 0.76 PDE3B (0.42) BRPF1BRD4GAALMNAKMT2A
SCHEMBL20578579 0.73 TSHR (0.50) GSK3AGSK3BGAAABL1LMNA
SCHEMBL3949762 0.72 BRPF1 (0.55) BRPF1GSK3AGSK3BOPRK1POLB
SCHEMBL8039565 0.71 BRPF1 (0.39) BRPF1BRD4GAAHSD17B3KMT2A
SCHEMBL14199082 0.71 HTR7 (0.51)
SCHEMBL4476006 0.70 BRPF1 (1.00) BRPF1GSK3AGSK3BOPRM1OPRD1

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-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed