SCHEMBL6741365

SCHEMBL6741365

COC(=O)c1ccc(C(=O)O)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.58
ALDH1A1 P00352 14/20 0.56
HPGD P15428 7/20 0.56
GAA P10253 4/20 0.56
ATM Q13315 3/20 0.56
GLA P06280 3/20 0.56
HSD17B10 Q99714 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2890796 0.90 MAPT (0.46) KDM4EALDH1A1HPGDGAAATM
SCHEMBL30779358 0.90 MAPT (0.46) KDM4EALDH1A1HPGDGAAATM
SCHEMBL4502703 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDGAAATM
SCHEMBL7399477 0.87 KDM4E (0.63) KDM4EALDH1A1HPGDGAAATM
SCHEMBL16318447 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDGAAATM
SCHEMBL10318265 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGAAATM
SCHEMBL2934675 0.83 CA12 (0.54) KDM4EALDH1A1HPGDGAAATM
SCHEMBL4490699 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDGAAATM
SCHEMBL30816858 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDGAAATM
SCHEMBL31480211 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDGAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166668-C Method for preparing substituted [1,4] diazepino (6,7,1-hi) indol-4-ones ��ʲ 2004-09-15 CN disclosed
US-6689881-B1 Method for preparing substituted [1,4]diazepino[6,7,1-hi]indol-4-ones WARNER-LAMBERT LLC 2004-02-10 US disclosed
CN-1362960-A Process for the preparation of substituted [1,4] -diaza * o [6,7, 1-hi ] -indol-4-ones WARNER LAMBERT CO (US) 2002-08-07 CN disclosed