SCHEMBL5728796

SCHEMBL5728796

N#Cc1ccsc1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TKT P29401 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 2/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
USP2 O75604 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL7426785 0.83
SCHEMBL5728535 0.80 RAB9A (0.36) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL27667806 0.80 RAB9A (0.36) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL9521381 0.78 RAB9A (0.48) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL27474774 0.76 HSD17B10 (0.40) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL14230450 0.75
SCHEMBL2088397 0.75
SCHEMBL4769454 0.75 POLB (0.34) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL3133906 0.75
SCHEMBL23199527 0.72 RAB9A (0.40) RAB9ASMN1; SMN2POLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed