SCHEMBL7999749

SCHEMBL7999749

N#CC(C#N)=C1C=C(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)OC(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.35
APP P05067 3/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMD14 O00487 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL10104129 1.00 RELA (0.35) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL13680267 1.00 RELA (0.35) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL7999745 1.00 RELA (0.35) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL14224319 0.94 RELA (0.47) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL14224321 0.92 MEN1 (0.42) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL5448210 0.91 RELA (0.34) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL5448209 0.91 RELA (0.34) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL13680268 0.90 APP (0.31) RELAAPPMAPTHDAC6
SCHEMBL15102163 0.90 MAPT (0.33) APPMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL990255 0.89 APP (0.33) RELAAPPMAPTALDH1A1L3MBTL1

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
US-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 US claimed
WO-2014026244-A1 PHOTOACTIVE OPTOELECTRONIC AND TRANSISTOR DEVICES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2014-02-20 WO disclosed
US-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 US disclosed
WO-2000054103-A1 CHIRAL POLYMER COMPOSITIONS EXHIBITING NONLINEAR OPTICAL PROPERTIES MOLECULAR OPTOELECTRONICS CORPORATION (US) 2000-09-14 WO disclosed