SCHEMBL883060

SCHEMBL883060

CC(C)n1c(O)nc2c(-c3nc(C4CCCCC4)cs3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.39
IDO1 P14902 1/20 0.34
PLAT P00750 1/20 0.33
AXL P30530 5/20 0.33
CCR5 P51681 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
APLNR P35414 3/20 0.31
TP53 P04637 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
PTPRB P23467 1/20 0.31

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
SCHEMBL878222 0.87 IDO1 (0.36) C1SIDO1PLATAXLCCR5
SCHEMBL10266425 0.86 C1S (0.36) C1SIDO1PLATAXLCCR5
SCHEMBL12730472 0.86 IDO1 (0.35) C1SIDO1PLATAXLTAAR1
SCHEMBL3431041 0.85 C1S (0.35) C1SIDO1PLATAXLCCR5
SCHEMBL3429413 0.85 C1S (0.35) C1SIDO1PLATAXLCCR5
SCHEMBL1654372 0.83 AXL (0.35) C1SIDO1PLATAXLTAAR1
SCHEMBL1688346 0.81 NPC1 (0.36) PLATAXLTAAR1RAB9ASMN1; SMN2
SCHEMBL2624059 0.77 MAPK14 (0.33) AXLRAB9ASMN1; SMN2APLNRDRD2
SCHEMBL2624052 0.77 PIK3R2 (0.34) RAB9ASMN1; SMN2APLNR
SCHEMBL2624061 0.77 PLAT (0.38) PLATAXLTAAR1RAB9ASMN1; SMN2

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-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed