SCHEMBL5793563

SCHEMBL5793563

COCCOCCOCCOc1cc(N)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCF1 P14598 9/20 0.36
CYBB P04839 1/20 0.36

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
SCHEMBL5793648 1.00 ALDH1A1 (0.45) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL29835049 1.00 ALDH1A1 (0.45) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL29835019 0.95 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL11228216 0.95 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL5796506 0.93 ALDH1A1 (0.42) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL9517902 0.91 MAPT (0.47) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL33906 0.91 MAPT (0.47) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL5157516 0.89 GAA (0.50) ALDH1A1MAPTGAAKDM4EMEN1
Resorcinol SCHEMBL5810217 0.89 EGFR (0.42) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL17525544 0.88 MAPT (0.50) ALDH1A1MAPTGAAKDM4EMEN1

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-2006029712-A1 POLYALKOXYLATED DIAMINOBENZENES FOR USE AS DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO disclosed