SCHEMBL3131107

SCHEMBL3131107

COc1ccc(NCc2cncnc2)cc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHFR P00374 1/20 0.43
HIF1A Q16665 2/20 0.42
POLB P06746 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 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
SCHEMBL3123550 0.87 F2 (0.42) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3129223 0.87 PDE4B (0.40) MAPTMEN1KMT2A
SCHEMBL3117592 0.83 MAPT (0.58) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3123599 0.80 MAPT (0.52) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3131100 0.80 POLB (0.44) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3121001 0.80 GPX4 (0.44) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3131230 0.79 KDM4E (0.40) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3133279 0.78 POLB (0.51) ALDH1A1MAPTPOLB
SCHEMBL3122756 0.78 PDE4B (0.45) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3133564 0.78 POLB (0.48) ALDH1A1MAPTPOLB

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
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed