SCHEMBL9113254

SCHEMBL9113254

O=C1c2ccccc2-n2c1nc1ccc([N+](=O)[O-])cc1c2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 11/20 0.74
▸ IDO2 Q6ZQW0 11/20 0.74
▸ IDO1 P14902 11/20 0.74
▸ KMT2A Q03164 4/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NTRK1 P04629 1/20 0.64
▸ ALOX5 P09917 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ PTGS2 P35354 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ MAPK8 P45983 1/20 0.64
▸ NTRK2 Q16620 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ CHEK1 O14757 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ TYRO3 Q06418 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56

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
SCHEMBL30862230 0.85 IDO1 (1.00) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL30239959 0.85 IDO1 (1.00) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL4585619 0.85 IDO1 (1.00) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL30639105 0.83 IDO1 (0.75) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL26614103 0.83 IDO1 (0.75) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL26614271 0.82 IDO1 (0.76) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL9221854 0.82 IDO1 (0.73) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL31382850 0.82 IDO1 (0.76) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL30537967 0.81 TDO2 (0.74) TDO2IDO2IDO1KMT2ANPC1
SCHEMBL9101181 0.81 TDO2 (0.74) TDO2IDO2IDO1KMT2ANPC1

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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