SCHEMBL1292289

SCHEMBL1292289

CCN(C(N)=O)c1nc2cc(Br)c(OC)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 5/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ SCD O00767 1/20 0.43
▸ RAD52 P43351 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15265867 0.84 KMT2A (0.40) KMT2AMEN1RAD52NPSR1
SCHEMBL15264940 0.79 KMT2A (0.37) KMT2AMEN1POLBNPSR1
SCHEMBL1292197 0.78 NCOA1 (0.36) KMT2AMEN1POLBRAD52
SCHEMBL7535208 0.78 MAPK1 (0.50) KMT2AMEN1RAD52
SCHEMBL7539138 0.74 SMN1; SMN2 (0.48) KMT2AMEN1
SCHEMBL29221428 0.73 STING1 (0.51) STING1KMT2AMEN1POLBSCD
SCHEMBL7534511 0.73 ALDH1A1 (0.51) KMT2AMEN1POLBNPSR1
SCHEMBL22887133 0.72 STING1 (0.65) STING1KMT2AMEN1SCD
SCHEMBL1282433 0.72 KMT2A (0.37) STING1KMT2AMEN1POLBRAD52
SCHEMBL6068038 0.72 LMNA (0.49) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 — — EP disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 — — WO disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 — — EP disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 — — WO disclosed
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