SCHEMBL9709140

SCHEMBL9709140

CC(C)(C)c1cc(CNCc2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.63
SCN2A Q99250 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 4/20 0.53
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.47
ACHE P22303 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL19937119 0.89 GSR (0.76) GSRSCN2AMEN1KMT2AGAA
SCHEMBL13057549 0.85 GSR (0.61) GSRSCN2AMEN1KMT2AGAA
SCHEMBL9708863 0.81 GAA (0.48) GSRMEN1KMT2AGAAALDH1A1
SCHEMBL29015812 0.81 GSR (0.53) GSRSCN2AMEN1KMT2AGAA
SCHEMBL6660623 0.80 GSR (0.69) GSRSCN2AMEN1KMT2AGAA
SCHEMBL1187217 0.80 MEN1 (0.57) GSRMEN1KMT2AGAAALDH1A1
SCHEMBL9855739 0.80 GAA (0.57) GSRMEN1KMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL8843543 0.79 GSR (0.70) GSRSCN2AMEN1KMT2AGAA
SCHEMBL12907995 0.78 SCN2A (0.70) GSRSCN2AKMT2AGAAMAPK1
SCHEMBL28292868 0.77 GSR (0.65) GSRSCN2AMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515684-A1 INHIBITOR OF DENATURED LDL FORMATION Chugai Seiyaku Kabushiki Kaisha (JP) 1992-12-02 EP disclosed