SCHEMBL4605601

SCHEMBL4605601

CC(C)c1ccc(N=Cc2cccc(C=Nc3ccc(C(C)C)cc3C(C)C)n2)c(C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
G6PD P11413 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 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
Hydrochloric Acid SCHEMBL3291435 0.97 MAPT (0.32) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL5589083 0.85 MAPT (0.38) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL27993714 0.84 NR4A1 (0.47) MAPTCYP1A2CYP3A4CYP2C9PKM
SCHEMBL5588853 0.84 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL16077908 0.81 TDP1 (0.33) G6PD
SCHEMBL5587992 0.81 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL8089705 0.81 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL20337312 0.80 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL5587603 0.80 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6THRB
SCHEMBL20337311 0.80 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6THRB

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-1943281-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE Basell Polyolefine GmbH (DE) 2008-07-16 EP disclosed
WO-2007042252-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE BASELL POLYOLEFINE GMBH (DE) 2007-04-19 WO disclosed