SCHEMBL8777556

SCHEMBL8777556

CCOc1ccccc1NC(c1ccc(N(C)C)cc1)c1c(C)n(CC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
CYP19A1 P11511 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
VDR P11473 1/20 0.38
KDM1A O60341 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL8777575 0.91 MAPT (0.40) TP53CYP19A1SMN1; SMN2VDRTDP1
SCHEMBL10724668 0.87 VDR (0.41) CYP19A1SMN1; SMN2VDRTDP1MAPT
SCHEMBL8777580 0.85 VDR (0.40) CYP19A1SMN1; SMN2VDRTDP1MAPT
SCHEMBL8777595 0.85 VDR (0.40) CYP19A1SMN1; SMN2VDRKDM1ATDP1
SCHEMBL8777728 0.77 VDR (0.40) CYP19A1SMN1; SMN2VDRTDP1MAPT
SCHEMBL10724658 0.77 VDR (0.44) TP53CYP19A1SMN1; SMN2VDRTDP1
SCHEMBL9656627 0.76 ALDH1A1 (0.48) TP53CYP19A1SMN1; SMN2TDP1MAPT
SCHEMBL9657922 0.76 ALDH1A1 (0.48) TP53CYP19A1SMN1; SMN2TDP1MAPT
SCHEMBL8777581 0.76 MEN1 (0.41) TP53VDRMAPTKMT2AALDH1A1
SCHEMBL8777527 0.76 CYP19A1 (0.42) TP53CYP19A1SMN1; SMN2TDP1MAPT

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