SCHEMBL24893149

SCHEMBL24893149

Cc1ccc(NC(C)I)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
CRHR1 P34998 6/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8362209 0.84 RAB9A (0.44) RAB9ACRHR1GAAHTTMEN1
SCHEMBL22019079 0.76 RAPGEF4 (0.47) RAB9AGAAHTTMEN1LMNA
SCHEMBL22019354 0.73 NOX1 (0.47) RAB9AGAAHTTMEN1LMNA
SCHEMBL8047103 0.73 KCNH2 (0.39) RAB9ACRHR1LMNAMAPTKMT2A
SCHEMBL11193851 0.73 RAB9A (0.46) RAB9ACRHR1GAAHTTMEN1
SCHEMBL11056044 0.73 RAB9A (0.46) RAB9ACRHR1GAAHTTMEN1
SCHEMBL11056480 0.73 RAB9A (0.46) RAB9ACRHR1GAAHTTMEN1
SCHEMBL5768693 0.73 RAB9A (0.47) RAB9AGAAHTTMEN1LMNA
SCHEMBL2137896 0.71 CA1 (0.50) RAB9AGAAHTTMEN1LMNA
SCHEMBL11404110 0.71 RAB9A (0.50) RAB9AGAAHTTMEN1LMNA

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
EP-4119141-A1 NELOTANSERIN FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER Axovant Sciences GmbH (CH) 2023-01-18 EP disclosed