SCHEMBL3800575

SCHEMBL3800575

COc1ccc(Oc2c(Br)cc(N(CC(=O)O)C(=O)N3CCOCC3)cc2Br)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 2/20 0.43
GLA P06280 2/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
APOBEC3A P31941 1/20 0.38
BLM P54132 1/20 0.38
ELAVL1 Q15717 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL3812541 0.90 THRB (0.44) KMT2AMEN1GAAGLAEPHX1
SCHEMBL3805324 0.89 THRA (0.46) KMT2AEPHX1SMN1; SMN2HSD17B10KDM4E
SCHEMBL3800984 0.83 GYS1 (0.41) KEAP1NFE2L2HPGDHTT
SCHEMBL3806836 0.81 KDM4E (0.41) KEAP1NFE2L2KDM4EHPGDPOLB
SCHEMBL3802151 0.81 TSHR (0.40) KMT2AKEAP1NFE2L2POLB
SCHEMBL3784791 0.80 THRA (0.41) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL3800631 0.80 LMNA (0.38) KMT2AMEN1KEAP1NFE2L2CD274
SCHEMBL3800512 0.79 LMNA (0.42) ALDH1A1KDM4EPOLBTDP1MAPK1
SCHEMBL3806790 0.78 MEN1 (0.45) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3702844 0.78 THRB (0.58) EPHX1

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-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO claimed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed