SCHEMBL8777595

SCHEMBL8777595

CCc1ccccc1NC(c1ccc(N(C)C)cc1)c1c(C)n(CC)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.40
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10724668 0.89 VDR (0.41) VDRCYP19A1ALDH1A1MAPTGAA
SCHEMBL8777580 0.88 VDR (0.40) VDRCYP19A1ALDH1A1MAPTGAA
SCHEMBL8777575 0.86 MAPT (0.40) VDRCYP19A1ALDH1A1MAPTGAA
SCHEMBL8777556 0.85 TP53 (0.44) VDRCYP19A1ALDH1A1MAPTGAA
SCHEMBL8777728 0.81 VDR (0.40) VDRCYP19A1ALDH1A1MAPTGAA
SCHEMBL10724658 0.79 VDR (0.44) VDRCYP19A1ALDH1A1MAPTGAA
SCHEMBL9657922 0.78 ALDH1A1 (0.48) CYP19A1ALDH1A1MAPTGAATDP1
SCHEMBL9656627 0.78 ALDH1A1 (0.48) CYP19A1ALDH1A1MAPTGAATDP1
SCHEMBL8777581 0.78 MEN1 (0.41) VDRALDH1A1MAPTGAAL3MBTL1
SCHEMBL8777705 0.78 VDR (0.41) VDRALDH1A1MAPTGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5478793-A Basic dye-containing layer and color accetpor-containing layer formed on same or different surfaces; basic dye enclosed in synthetic polymer microcapsules, color acceptor is activated clay containing silica KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-12-26 US disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed