SCHEMBL24359377

SCHEMBL24359377

NC(=O)CCCCCCSC(=O)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NOS1 P29475 2/20 0.53
HDAC1 Q13547 5/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX5 P09917 1/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL24359351 0.92 NOS1 (0.50) MAPTRXFP1NOS1HDAC1HDAC2
SCHEMBL24359483 0.92 NOS1 (0.53) MAPTRXFP1NOS1HDAC1HDAC2
SCHEMBL24359381 0.84 PAM (0.54) MAPTRXFP1NOS1HDAC1HDAC2
SCHEMBL2627816 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL5981360 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL1327206 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL1285525 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL1404165 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL21359026 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL1326081 0.83 MAPT (0.74) MAPTRXFP1HDAC1HDAC2HDAC3

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-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed