SCHEMBL11088944

SCHEMBL11088944

CCCCCCC[C@H]1CC[C@H](c2ccc(CCCC)nn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
SPHK1 Q9NYA1 3/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL11088951 1.00 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11088326 0.99 MEN1 (0.40) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11088331 0.99 MEN1 (0.40) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11078822 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11080816 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11078171 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11075062 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11078827 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11080820 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11086430 0.97 MAPT (0.42) MAPTGAAMEN1KMT2AMAPK1

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-4452718-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US disclosed