SCHEMBL6597101

SCHEMBL6597101

COC(=O)c1cc2c(OC(C)=O)c(OC)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PTBP1 P26599 1/20 0.50
KDM4E B2RXH2 3/20 0.47
BLM P54132 1/20 0.47
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ULK1 O75385 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42

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
SCHEMBL5564109 0.89 KMT2A (0.57) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL6599588 0.80 IDO1 (0.55) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL30310487 0.79 GLA (0.47) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL19330914 0.79 GLA (0.47) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL11965472 0.79 GAA (0.47) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL6308070 0.78 FLT3 (0.51) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28265787 0.78 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL6597064 0.78 SRD5A2 (0.52) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL16030401 0.77 CYP1A2 (0.45) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL9321216 0.76 GAA (0.42) KMT2AMEN1MAPTSMN1; SMN2HPGD

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-1150954-B1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-13 EP disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO disclosed