SCHEMBL7947720

SCHEMBL7947720

O=C(O)COc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
GAA P10253 4/20 0.59
NPSR1 Q6W5P4 2/20 0.57
TTR P02766 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
GPR55 Q9Y2T6 1/20 0.55
CHUK O15111 1/20 0.55
CASP3 P42574 1/20 0.55
TXNRD1 Q16881 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NOX4 Q9NPH5 1/20 0.55
TSHR P16473 2/20 0.55
ATM Q13315 2/20 0.55
HTT P42858 1/20 0.55
HAVCR2 Q8TDQ0 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL7954795 0.87 NPSR1 (0.55) MAPTGAANPSR1TTRNPC1
SCHEMBL1997514 0.85 PTGDR2 (0.67) MAPTGAANPC1RAB9ATSHR
SCHEMBL7961394 0.84 NPSR1 (0.59) MAPTGAANPSR1TTRNPC1
SCHEMBL5734604 0.80 NPSR1 (0.59) MAPTGAANPSR1TTRNPC1
SCHEMBL7957028 0.80 RAB9A (0.59) MAPTGAANPSR1TTRNPC1
SCHEMBL2002169 0.79 PTGDR2 (0.68) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL7954738 0.78 NPSR1 (0.57) MAPTGAANPSR1TTRNPC1
SCHEMBL5798120 0.78 NPSR1 (0.57) MAPTGAANPSR1TTRNPC1
SCHEMBL1995007 0.78 PTGDR2 (0.53) MAPTGAANPC1RAB9ATSHR
SCHEMBL1996239 0.78 PTGDR2 (0.56) MAPTNPC1RAB9ATSHRHAVCR2

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
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed