SCHEMBL6958424

SCHEMBL6958424

CC(O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ACR P10323 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDGFRB P09619 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SORD Q00796 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1696579 0.85 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL1929144 0.82 ADORA2A (0.39) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL12506974 0.82 ADORA2A (0.39) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL1505257 0.82 ADORA2A (0.39) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL19824617 0.81 ADORA1 (0.38) ADORA1ADORA3ADORA2AADORA2BALDH1A1
Hydrochloric Acid SCHEMBL19329630 0.81 ADORA1 (0.38) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL20850180 0.79 MEN1 (0.38) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL19829076 0.79 TDP1 (0.40) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL19824644 0.79 PDGFRB (0.39) ADORA1ADORA3ADORA2AADORA2BALDH1A1
SCHEMBL4822860 0.78 ALDH1A1 (0.36) ADORA1ADORA3ADORA2AADORA2BALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114574846-B Passivation sealing agent and passivation sealing treatment process 重庆工业职业技术学院 2023-09-15 CN disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed