SCHEMBL9114978

SCHEMBL9114978

O=C(O)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 12/20 0.70
▸ IDO2 Q6ZQW0 9/20 0.70
▸ IDO1 P14902 14/20 0.69
▸ APAF1 O14727 2/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ MITF O75030 1/20 0.69
▸ HSP90AA1 P07900 1/20 0.69
▸ LMNA P02545 1/20 0.67
▸ NTRK1 P04629 1/20 0.67
▸ ALOX5 P09917 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ MAPK8 P45983 1/20 0.67
▸ NTRK2 Q16620 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL26614168 0.85 APAF1 (0.67) TDO2IDO2IDO1APAF1NPC1
SCHEMBL30639101 0.85 APAF1 (0.67) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9100562 0.85 TDO2 (0.64) TDO2IDO2IDO1APAF1NPC1
SCHEMBL11904068 0.84 IDO1 (0.70) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9105381 0.83 TDO2 (0.58) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9103006 0.83 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9115231 0.82 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9222306 0.82 IDO1 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9099548 0.82 TDO2 (0.74) TDO2IDO2IDO1APAF1NPC1
SCHEMBL31680506 0.82 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441955-A Tuberculosis PATHOGENESIS CORPORATION (US) 1995-08-15 — — US disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 — — WO disclosed
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