SCHEMBL17844247

SCHEMBL17844247

CC(C)(C)n1sc(-c2ccccc2)c(NCCOc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5186747 0.93 PTPN2 (0.37) HTR1BHTR1DGPR84MTNR1AMTNR1B
SCHEMBL17844223 0.92 DRD2 (0.41) GPR84NPC1RAB9APOLBL3MBTL1
SCHEMBL17844178 0.89 DRD4 (0.43) GPR84POLBL3MBTL1MAPTDRD2
SCHEMBL17844246 0.89 HCRTR1 (0.39) NPC1RAB9APOLBSMN1; SMN2DRD2
SCHEMBL17844232 0.88 DRD2 (0.44) GPR84MTNR1AMTNR1BDRD2DRD4
SCHEMBL17844151 0.88 PIM1 (0.39) KDM4E
SCHEMBL17844180 0.87 KDM4E (0.37) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL5184327 0.87 KDM4E (0.37) POLBL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17844230 0.86 DRD2 (0.46) GPR84NPC1RAB9APOLBSMN1; SMN2
SCHEMBL17844169 0.86 SCN9A (0.36) GPR84POLBDRD2DRD4KDM4E

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