SCHEMBL9220971

SCHEMBL9220971

CCOC(=O)Nc1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 19/20 0.66
▸ IDO1 P14902 18/20 0.66
▸ IDO2 Q6ZQW0 10/20 0.64
▸ MEN1 O00255 1/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MITF O75030 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 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
SCHEMBL9222336 0.88 TDO2 (0.63) TDO2IDO1IDO2MEN1APAF1
SCHEMBL26857739 0.82 IDO1 (0.69) TDO2IDO1IDO2MEN1APAF1
Hydrochloric Acid SCHEMBL26614206 0.81 TDO2 (0.68) TDO2IDO1IDO2MEN1APAF1
SCHEMBL26857020 0.81 IDO1 (0.59) TDO2IDO1IDO2MEN1APAF1
SCHEMBL9115282 0.80 IDO1 (0.55) TDO2IDO1IDO2MEN1APAF1
SCHEMBL9105370 0.80 IDO1 (1.00) TDO2IDO1IDO2MEN1APAF1
SCHEMBL26614183 0.79 TDO2 (0.71) TDO2IDO1IDO2MEN1APAF1
SCHEMBL9103054 0.78 TDO2 (0.85) TDO2IDO1IDO2MEN1APAF1
SCHEMBL26614113 0.77 TDO2 (0.79) TDO2IDO1IDO2MEN1APAF1
SCHEMBL30639087 0.77 TDO2 (0.64) TDO2IDO1IDO2MEN1APAF1

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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