SCHEMBL8777580

SCHEMBL8777580

CCn1c(C)c(C(Nc2ccccc2Cl)c2ccc(N(C)C)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.40
CYP19A1 P11511 2/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 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
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 4/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL10724668 0.89 VDR (0.41) VDRCYP19A1MAPTALDH1A1KMT2A
SCHEMBL8777595 0.88 VDR (0.40) VDRCYP19A1MAPTALDH1A1KMT2A
SCHEMBL8777817 0.87 ALDH1A1 (0.38) VDRMAPTALDH1A1KMT2AMEN1
SCHEMBL8777575 0.86 MAPT (0.40) VDRCYP19A1MAPTALDH1A1KMT2A
SCHEMBL8777556 0.85 TP53 (0.44) VDRCYP19A1MAPTALDH1A1KMT2A
SCHEMBL10724658 0.83 VDR (0.44) VDRCYP19A1MAPTALDH1A1KMT2A
SCHEMBL8777728 0.79 VDR (0.40) VDRCYP19A1MAPTALDH1A1KMT2A
SCHEMBL9657922 0.78 ALDH1A1 (0.48) CYP19A1MAPTALDH1A1KMT2AMEN1
SCHEMBL9656627 0.78 ALDH1A1 (0.48) CYP19A1MAPTALDH1A1KMT2AMEN1
SCHEMBL8777581 0.78 MEN1 (0.41) VDRMAPTALDH1A1KMT2AMEN1

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 2 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
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed