SCHEMBL27946641

SCHEMBL27946641

COc1ccc(Cn2nc(-c3cccs3)c3sc(OC)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ESR1 P03372 1/20 0.41
PKM P14618 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
ADORA1 P30542 1/20 0.39
PTGER4 P35408 1/20 0.38
BUB1 O43683 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL27929320 0.89 LMNA (0.43) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL27946642 0.87 PDE5A (0.43) NR1H4NPC1RAB9ATDP1L3MBTL1
SCHEMBL27929301 0.87 SMN1; SMN2 (0.40) NR1H4NPC1RAB9ATDP1L3MBTL1
SCHEMBL28806569 0.79 NR1H4 (0.36) NR1H4NPC1RAB9ATDP1L3MBTL1
SCHEMBL27929313 0.76 HRH4 (0.43) RAB9ACNR1CNR2SMN1; SMN2MEN1
SCHEMBL27929330 0.72 SMN1; SMN2 (0.48) RAB9AL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL514454 0.71 SLC16A3 (0.45) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL513268 0.71 SLC16A3 (0.42) NR1H4NPC1RAB9ATDP1L3MBTL1
SCHEMBL513313 0.70 SMN1; SMN2 (0.42) NPC1RAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL24038948 0.70 MAPT (0.56) TDP1L3MBTL1SMN1; SMN2LMNAMEN1

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
CN-103467481-A Dihydropyridine compounds, compositions thereof, preparation method and applications SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD 2013-12-25 CN disclosed