SCHEMBL4408570

SCHEMBL4408570

O=C(CBr)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.61
MGAM O43451 7/20 0.61
SI P14410 7/20 0.61
MGAM2 Q2M2H8 7/20 0.61
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 4/20 0.60
MAPK1 P28482 2/20 0.60
WNT3A P56704 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
ELOVL1 Q9BW60 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54

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
SCHEMBL4487938 0.89 GAA (0.61) GAAMGAMSIMGAM2KMT2A
SCHEMBL7930002 0.87 GAA (0.60) GAAMGAMSIMGAM2KMT2A
SCHEMBL21586296 0.87 KMT2A (0.74) GAAMGAMSIMGAM2KMT2A
SCHEMBL480758 0.87 MAPT (0.71) GAAMGAMSIMGAM2KMT2A
SCHEMBL2452315 0.87 ELOVL1 (0.72) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL4410636 0.86 MAPT (0.70) GAAMGAMSIMGAM2KMT2A
SCHEMBL4420194 0.86 HDAC1 (0.65) GAAMGAMSIMGAM2KMT2A
SCHEMBL10921733 0.85 KMT2A (0.68) GAAMGAMSIMGAM2KMT2A
SCHEMBL4416778 0.85 RAB9A (0.63) KMT2AMAPTMEN1LMNAWNT3A
SCHEMBL4408791 0.84 LMNA (0.57) KMT2AMAPTALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012166891-A2 MU-OPIOID RECEPTOR BINDING COMPOUNDS ALGYNOMICS INC. (US) 2012-12-06 WO disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed