SCHEMBL11405107

SCHEMBL11405107

O=c1c([N+](=O)[O-])coc2cc3c(cc12)CCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.41
▸ LMNA P02545 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH3A1 P30838 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL11397717 0.78 ALOX12 (0.45) ALOX12KMT2AHPGDPTPN1MAPT
SCHEMBL11393281 0.74 LMNA (0.41) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL11610254 0.71 PTPN1 (0.55) ALOX12KMT2APTPN1POLBTSHR
SCHEMBL11398801 0.71 MAOB (0.50) PTPN1TSHRALDH1A1
SCHEMBL11227684 0.69 MAOB (0.50) LMNAHPGDPTPN1MAPTSMN1; SMN2
SCHEMBL11873585 0.68 MAOB (0.53) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL11568210 0.68 MAPT (0.56) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL9452619 0.66 MAPT (0.41) ALOX12LMNAHPGDALDH3A1MAPT
SCHEMBL3519263 0.66 MAPT (0.57) MEN1KMT2AALDH3A1MAPTGRIN2D
SCHEMBL11390974 0.66 LMNA (0.43) LMNAMEN1KMT2AHPGDMAPT

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
US-4288450-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1981-09-08 — — US disclosed
US-4216155-A 3-GLYCOLOYLAMINO-4-OXO-4H-1-BENZOPYRAN; ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-08-05 — — US disclosed
EP-0000488-A1 3-Oxaloamino-4-oxo-4H-1-benzopyrane compounds, process for their preparation and their pharmaceutical use CIBA-GEIGY AG (CH) 1979-02-07 — — EP disclosed
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