SCHEMBL8096404

SCHEMBL8096404

CCCC(c1ccc(C(C)c2ccc(N)cc2)cc1)c1ccc(C(C)c2ccc(N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ESR1 P03372 1/20 0.37
PDCD1 Q15116 1/20 0.37
ESR2 Q92731 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
HRH1 P35367 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
PSMD14 O00487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AOC3 Q16853 1/20 0.33
GRIA4 P48058 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
SCHEMBL8102252 1.00 CYP19A1 (0.38) CYP19A1CNR1CNR2ESR1PDCD1
SCHEMBL6130573 0.92 CNR1 (0.42) CYP19A1CNR1CNR2TDP1HRH1
SCHEMBL8095083 0.92 CNR1 (0.42) CYP19A1CNR1CNR2TDP1HRH1
SCHEMBL8086230 0.89 CYP19A1 (0.43) CYP19A1CNR1CNR2ESR1PDCD1
SCHEMBL8085240 0.89 CYP19A1 (0.43) CYP19A1CNR1CNR2ESR1PDCD1
SCHEMBL8101583 0.87 CYP19A1 (0.42) CYP19A1CNR1CNR2HRH1ALDH1A1
SCHEMBL8087446 0.87 CYP19A1 (0.42) CYP19A1CNR1CNR2HRH1ALDH1A1
SCHEMBL8087187 0.86 CNR1 (0.39) CYP19A1CNR1CNR2TDP1HRH1
SCHEMBL8093683 0.86 CNR1 (0.39) CYP19A1CNR1CNR2TDP1HRH1
SCHEMBL8094274 0.85 CYP19A1 (0.41) CYP19A1CNR1CNR2HRH1ALDH1A1

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5807961-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element using the formers CHISSO CORPORATION (JP) 1998-09-15 US disclosed
EP-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 WO disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed