SCHEMBL7954795

SCHEMBL7954795

O=C(O)CCOc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
TTR P02766 1/20 0.55
FABP3 P05413 1/20 0.55
FABP4 P15090 1/20 0.55
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MAPT P10636 6/20 0.53
TSHR P16473 2/20 0.53
ATM Q13315 2/20 0.53
HTT P42858 1/20 0.53
GPR55 Q9Y2T6 1/20 0.52
CHUK O15111 1/20 0.52
CASP3 P42574 1/20 0.52
TXNRD1 Q16881 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NOX4 Q9NPH5 1/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.51

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
SCHEMBL7947720 0.87 MAPT (0.59) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL5734604 0.83 NPSR1 (0.59) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL7957028 0.83 RAB9A (0.59) NPSR1TTRNPC1RAB9AMAPT
Irampanel SCHEMBL678128 0.80 HTR7 (0.63) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL5733546 0.79 NPSR1 (0.52) NPSR1TTRNPC1RAB9AMAPT
Irampanel SCHEMBL6879876 0.79 HTR7 (0.62) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL7947863 0.78 NPSR1 (0.56) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL7961394 0.77 NPSR1 (0.59) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL5733509 0.77 NPSR1 (0.50) NPSR1TTRNPC1RAB9AMAPT
SCHEMBL7957021 0.77 KDM4E (0.58) NPSR1TTRNPC1HTTGPR55

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