SCHEMBL5331470

SCHEMBL5331470

COc1ccc(Oc2c(Br)cc(N3CC(=O)NC3=O)cc2Br)cc1C(=O)NC1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
OPRK1 P41145 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 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
SCHEMBL5328035 0.91 THRB (0.42) KMT2AMEN1TDP1HSP90AA1HSD17B10
SCHEMBL5333097 0.90 THRB (0.39) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL5326974 0.80 THRB (0.49) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL5328999 0.74 THRB (0.52) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5330302 0.72 MEN1 (0.48) KMT2AMEN1
SCHEMBL6219048 0.71 THRB (0.60)
SCHEMBL5325834 0.70 PDE4A (0.37) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL6221593 0.69 HSP90AA1 (0.42) KMT2AMEN1TDP1HSP90AA1ALDH1A1
SCHEMBL4251171 0.69 TAS1R3 (0.40) KMT2AMEN1TDP1HSP90AA1HSD17B10
SCHEMBL3219307 0.68 KMT2A (0.42) KMT2AMEN1TDP1HSP90AA1HSD17B10

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-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO claimed