SCHEMBL466874

SCHEMBL466874

C=CCc1cc(CC=C)c(N)c(Cc2cc(CC=C)c(N)c(CC=C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.40
GABRA1 P14867 5/20 0.35
GABRB2 P47870 5/20 0.35
XDH P47989 1/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH2 P05091 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL467179 0.94 GABRA1 (0.35) DHFRGABRA1GABRB2XDHMAPT
SCHEMBL2162708 0.92 XDH (0.39) GABRA1GABRB2XDHMAPTCYP3A4
SCHEMBL467130 0.90 DHFR (0.39) DHFRGABRA1GABRB2XDHMAPT
Methane SCHEMBL28153013 0.80 GABRA1 (0.41) GABRA1GABRB2XDHMAPTCYP3A4
SCHEMBL11129754 0.79 CYP3A4 (0.50) DHFRGABRA1GABRB2XDHMAPT
Methane SCHEMBL28153009 0.78 GABRA1 (0.43) GABRA1GABRB2MAPTMEN1GAA
SCHEMBL9602352 0.78 POLB (0.42) DHFRGABRA1GABRB2XDHMAPT
SCHEMBL9288771 0.77 CYP3A4 (0.38) DHFRGABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL9281677 0.77 SHBG (0.39) DHFRGABRA1GABRB2CYP3A4CYP1A2
SCHEMBL1865361 0.76 GABRA1 (0.48) GABRA1GABRB2XDHMAPTCYP3A4

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 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046944-B1 METHOD FOR THE PREPARATION OF ORGANIC AEROGELS BASED ON ISOCYANATE BASF SE (DE) 2021-08-11 EP claimed
EP-3169724-B1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2021-05-26 EP claimed
EP-2900715-B1 PROCESS FOR THE PREPARATION OF POROUS MATERIALS ON THE BASIS OF POLYURIC MATERIAL BASF SE (DE) 2020-11-25 EP claimed
CN-106795315-B Method for producing porous material 巴斯夫欧洲公司 2020-08-14 CN claimed
US-10717841-B2 Process for producing porous materials BASF SE (DE) 2020-07-21 US claimed
EP-3122809-B1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2020-06-03 EP claimed
US-10273341-B2 Process for producing porous materials BASF SE (DE) 2019-04-30 US claimed
US-10240020-B2 Process for producing porous materials BASF SE (DE) 2019-03-26 US claimed
US-20190023864-A1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2019-01-24 US claimed
EP-3405508-A1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2018-11-28 EP claimed
EP-2635616-A1 PROCESS FOR PRODUCING AEROGELS OR XEROGELS BASF SE (DE) 2013-09-11 EP claimed
EP-2585508-A1 METHOD FOR PRODUCING POROUS POLYUREA-BASED MATERIALS BASF SE (DE) 2013-05-01 EP claimed
US-20120305827-A1 POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2012-12-06 US claimed
EP-2510026-A2 IMPROVED POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2012-10-17 EP claimed
WO-2012059388-A1 PROCESS FOR PRODUCING AEROGELS OR XEROGELS BASF SE (DE) 2012-05-10 WO claimed
US-20120115969-A1 PROCESS FOR PRODUCING AEROGELS OR XEROGELS BASF SE (DE) 2012-05-10 US claimed
WO-2012000917-A1 METHOD FOR PRODUCING POROUS POLYUREA-BASED MATERIALS BASF SE (DE) 2012-01-05 WO claimed
US-20110319508-A1 PROCESS FOR PRODUCING POROUS MATERIALS BASED ON POLYUREA BASF SE (DE) 2011-12-29 US claimed
EP-2399945-A1 Method for producing porous materials on the basis of polyuric material BASF SE (DE) 2011-12-28 EP claimed
WO-2011069959-A2 IMPROVED POROUS MATERIALS BASED ON AROMATIC AMINES BASF SE (DE) 2011-06-16 WO claimed