SCHEMBL22818552

SCHEMBL22818552

Cc1ccc(N2CCCCCCCCC2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.66
HPGD P15428 3/20 0.59
MAPT P10636 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.50
ALOX15 P16050 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
S100B P04271 2/20 0.50
TERT O14746 2/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50

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
SCHEMBL8390975 1.00 ADRB1 (0.66) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL3539353 0.98 ADRB1 (0.68) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL24140572 0.93 ADRB1 (0.68) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL14503598 0.88 ADRB1 (0.53) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL30228205 0.83 MEN1 (0.69) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL8864170 0.82 GAA (0.65) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL5605736 0.82 HPGD (0.54) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL9881498 0.82 HPGD (0.50) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL1599707 0.82 HPGD (0.50) ADRB1HPGDMAPTMEN1KMT2A
SCHEMBL6826402 0.82 HPGD (0.50) ADRB1HPGDMAPTMEN1KMT2A

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-2020257180-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2020-12-24 WO disclosed