SCHEMBL11088331

SCHEMBL11088331

CCCCCC1CCC(c2ccc(CCCC)nn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDH1 O75874 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
SCHEMBL11088326 1.00 MEN1 (0.40) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11088944 0.99 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11088951 0.99 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL10623155 0.97 MEN1 (0.40) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL10623168 0.97 MEN1 (0.40) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11078822 0.96 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11078827 0.96 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11075062 0.96 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11080816 0.96 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11086430 0.96 MAPT (0.42) MEN1KMT2AMAPTGAACYP1A2

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