SCHEMBL7883163

SCHEMBL7883163

O=C1NCCCO[C@H]1c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
KDM1A O60341 4/20 0.37
POLB P06746 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RCOR1 Q9UKL0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7887364 1.00 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8KDM1A
SCHEMBL31730065 0.77 DDB1 (0.46) ABCC9ABCC8KCNJ11KCNJ8KDM1A
SCHEMBL21805277 0.75 POLB (0.45) ABCC9ABCC8KCNJ11KCNJ8KDM1A
SCHEMBL31232304 0.72 POLB (0.35) KDM1APOLBHPGDALDH1A1KMT2A
SCHEMBL537358 0.72 DRD2 (0.57) KDM1A
SCHEMBL2117348 0.72 DRD2 (0.57) KDM1A
SCHEMBL2179017 0.72 CA2 (0.46) POLBKDM4EALDH1A1TSHRRAB9A
SCHEMBL2033480 0.71 POLB (0.44) KDM1APOLBHPGDKDM4EALDH1A1
SCHEMBL671164 0.70 CHRNB4 (0.40) POLBKMT2AMEN1
SCHEMBL1893123 0.70 KDM1A (0.47) KDM1APOLBHPGDALDH1A1KMT2A

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
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed