SCHEMBL8024221

SCHEMBL8024221

CCOc1cc(N(C)C)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2nccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 6/20 0.34
TP53 P04637 4/20 0.33
POLB P06746 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
NPY5R Q15761 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31
BTK Q06187 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL30154381 0.93 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TP53POLBGSK3A
SCHEMBL3187828 0.93 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TP53POLBGSK3A
SCHEMBL8024670 0.91 GSK3A (0.36) SMN1; SMN2ALDH1A1TP53POLBGSK3A
SCHEMBL3191798 0.89 CYP3A4 (0.35) SMN1; SMN2ALDH1A1TP53POLBGSK3A
SCHEMBL9182880 0.84 CYP3A4 (0.41) ALDH1A1HPGDMAPTTDP1CYP3A4
SCHEMBL211485 0.84 GSK3A (0.36) SMN1; SMN2ALDH1A1TP53POLBGSK3A
SCHEMBL29735694 0.84 GSK3A (0.36) SMN1; SMN2ALDH1A1TP53POLBGSK3A
SCHEMBL30792926 0.84 CNR2 (0.40) ALDH1A1
SCHEMBL3187819 0.84 CNR2 (0.40) ALDH1A1
SCHEMBL10595719 0.84 CNR2 (0.40) ALDH1A1

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-0754564-B1 Heat sensitive recording material and recording method. MITSUBISHI PAPER MILLS LTD (JP) 2000-03-01 EP disclosed
US-5876898-A MULTICOLOR RECORDING OF HIGH CONTRAST MITSUBISHI PAPER MILLS LIMITED (JP) 1999-03-02 US disclosed
EP-0754564-A2 Heat sensitive recording material and recording method using the same MITSUBISHI PAPER MILLS, LTD. (JP) 1997-01-22 EP disclosed