SCHEMBL2036022

SCHEMBL2036022

CC(=O)NCc1ccc(COc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
BCHE P06276 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MAOB P27338 1/20 0.55
HPGD P15428 1/20 0.55
FFAR1 O14842 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL8519393 0.95 BCHE (0.63) LMNAKMT2AMEN1SMN1; SMN2BCHE
SCHEMBL2851912 0.83 MAPK14 (0.64) LMNAKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL5099006 0.83 PDCD1 (0.65) KMT2AMEN1BCHEMAOB
SCHEMBL26633561 0.82 BCHE (0.67) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10133176 0.81 NPC1 (0.67) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17136480 0.81 HDAC1 (0.65) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5098479 0.81 BCHE (0.65) KMT2AMEN1MTNR1AMTNR1BBCHE
SCHEMBL97001 0.80 KMT2A (0.68) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13652546 0.80 LMNA (0.61) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
Bromide SCHEMBL30703423 0.79 KMT2A (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 WO disclosed