SCHEMBL11511537

SCHEMBL11511537

CCCCOC(C)(C)c1ccc(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
CASP1 P29466 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 4/20 0.41
TSHR P16473 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL18156894 0.76 MAPT (0.47) ALDH1A1MAPTKDM4EGAACYP1A2
SCHEMBL9503076 0.75 CASP1 (0.43) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL11512947 0.73 CASP1 (0.41) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL19404700 0.72 KDM4E (0.47) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL29761215 0.70 KDM4E (0.79) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL10876363 0.70 KDM4E (0.79) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL10582996 0.70 MAPT (0.43) ALDH1A1MAPTKDM4EMEN1CASP1
Hydrochloric Acid SCHEMBL15018737 0.69 GAA (0.83) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL398357 0.68 CASP1 (0.48) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL12681583 0.68 LTA4H (0.38) ALDH1A1TP53CYP1A2TSHRCYP2C9

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
US-4171203-A IN COMBINATION WITH A TETRAAMINOPYRIMIDING COUPLER SURFACTANTS AND THICKENERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-10-16 US disclosed