SCHEMBL1448641

SCHEMBL1448641

C/N=C(\C)c1ccc2ccccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BRCA1 P38398 1/20 0.51
HBB P68871 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4A O75164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
CYP1B1 Q16678 3/20 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
SCHEMBL1448646 1.00 LDHA (0.55) LDHATP53CYP1A2CYP3A4CYP2C9
SCHEMBL1448644 1.00 LDHA (0.55) LDHATP53CYP1A2CYP3A4CYP2C9
SCHEMBL17548955 0.85 LDHA (0.55) LDHATP53CYP1A2CYP3A4CYP2C9
SCHEMBL22422804 0.79 NR4A1 (0.50) TP53CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL18876546 0.78 TP53 (0.62) LDHATP53CYP1A2CYP3A4CYP2C9
SCHEMBL8265852 0.77 SMN1; SMN2 (0.54) LDHATP53CYP1A2CYP3A4CYP2C9
SCHEMBL13273691 0.77 LDHA (0.58) LDHATP53CYP1A2CYP3A4CYP2C9
SCHEMBL431650 0.77 LDHA (0.69) LDHAPTPN22KMT2AMEN1NPC1
SCHEMBL29390177 0.77 LDHA (0.69) LDHAPTPN22KMT2AMEN1NPC1
SCHEMBL6742964 0.76 TP53 (0.60) LDHATP53CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373758-B1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2017-05-10 EP disclosed
EP-2373758-B1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2017-05-10 EP disclosed
CN-102257096-B Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL INC 2015-05-27 CN disclosed
US-8547625-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-8547625-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-8547625-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
EP-2373758-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-10-12 EP disclosed
US-7911676-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-7911676-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-7911676-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-20110051223-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (FL) 2011-03-03 US disclosed
US-20110051223-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (FL) 2011-03-03 US disclosed
US-20110051223-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (FL) 2011-03-03 US disclosed
WO-2010074969-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-07-01 WO disclosed
US-20100149620-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-06-17 US disclosed
US-20100149620-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-06-17 US disclosed
US-20100149620-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-06-17 US disclosed