SCHEMBL17844223

SCHEMBL17844223

CC(C)(C)n1sc(-c2ccccc2)c(NCCOc2ccc(Cl)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 3/20 0.41
MAPT P10636 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL17844178 0.97 DRD4 (0.43) DRD2DRD4DRD3MAPTTAAR1
SCHEMBL17844247 0.92 HTR1B (0.39) DRD2DRD4DRD3MAPTL3MBTL1
SCHEMBL17844236 0.87 DRD2 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844180 0.87 KDM4E (0.37) MAPTRXFP1MEN1KMT2APOLB
SCHEMBL17844246 0.86 HCRTR1 (0.39) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844230 0.86 DRD2 (0.46) DRD2DRD4MAPTRXFP1MEN1
SCHEMBL5186747 0.86 PTPN2 (0.37) DRD2DRD4DRD3L3MBTL1POLB
SCHEMBL5184327 0.85 KDM4E (0.37) L3MBTL1MEN1KMT2APOLBLMNA
SCHEMBL17844130 0.82 DRD2 (0.41) DRD2DRD4DRD3MAPTL3MBTL1
SCHEMBL17844232 0.81 DRD2 (0.44) DRD2DRD4DRD3GPR84

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed