SCHEMBL3844403

SCHEMBL3844403

C=C(C)COc1ccc(C23CC4CC(CC(C4)C2C2C4CC5CC(C4)CC2(c2ccc(OCC(=C)C)cc2)C5)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
CASP2 P42575 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.37
GPR174 Q9BXC1 1/20 0.36
HIF1A Q16665 8/20 0.36
EPAS1 Q99814 5/20 0.36
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
EP300 Q09472 1/20 0.35
ALOX5AP P20292 1/20 0.35
ESR1 P03372 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL3845875 0.82 KMT2A (0.33) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL3845937 0.78 ALDH1A1 (0.40) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL3844883 0.77 GAA (0.37) MEN1KMT2ARAB9ACASP2LMNA
SCHEMBL6579897 0.77 ESR1 (0.56) MEN1KMT2ARAB9ACASP2LMNA
SCHEMBL3844877 0.76 MEN1 (0.40) MEN1KMT2ARAB9ACASP2LMNA
SCHEMBL3846317 0.72 GAA (0.45) MEN1KMT2ALMNAALDH1A1CNR2
SCHEMBL10338925 0.71 GPR174 (0.58) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL16158225 0.68 MEN1 (0.74) MEN1KMT2ARAB9ACASP2LMNA
SCHEMBL29065708 0.67 EPHX2 (0.47) MEN1KMT2ALMNACNR2EPHX2
SCHEMBL3849672 0.66

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-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed