SCHEMBL6420189

SCHEMBL6420189

COc1cc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc2c1OOC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.71
MITF O75030 2/20 0.71
PAX8 Q06710 2/20 0.71
RAB9A P51151 1/20 0.71
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
ALDH1A1 P00352 6/20 0.61
LMNA P02545 4/20 0.61
CASP1 P29466 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
HSD17B10 Q99714 6/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 6/20 0.57
ALOX15 P16050 5/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HPGD P15428 3/20 0.57
GAA P10253 2/20 0.57
TP53 P04637 2/20 0.57
MAPK1 P28482 2/20 0.57
TUBB4A P04350 2/20 0.57

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
SCHEMBL4322225 0.86 HTT (0.80) HTTMITFPAX8RAB9AMEN1
SCHEMBL6421756 0.82 MEN1 (0.71) HTTMITFPAX8RAB9AMEN1
SCHEMBL5045431 0.80 HTT (0.88) HTTMITFPAX8RAB9AMEN1
SCHEMBL4333695 0.80 HSD17B10 (0.76) HTTMITFPAX8RAB9AMEN1
SCHEMBL15363961 0.79 HTT (0.86) HTTMITFPAX8RAB9AMEN1
SCHEMBL4320586 0.75 MEN1 (0.82) HTTMITFPAX8RAB9AMEN1
SCHEMBL31237623 0.74 MEN1 (0.78) HTTMITFPAX8RAB9AMEN1
SCHEMBL5048290 0.73 HTT (0.70) HTTMITFPAX8RAB9AMEN1
SCHEMBL4319229 0.72 MEN1 (1.00) HTTMITFPAX8RAB9AMEN1
SCHEMBL15363767 0.72 ALDH1A1 (0.67) HTTMITFPAX8RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP claimed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO claimed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO disclosed