SCHEMBL7267608

SCHEMBL7267608

CN1C2CCC1CC(n1cnc3cc([N+](=O)[O-])c(Cl)cc3c1=O)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KAT2B Q92831 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ VCAM1 P19320 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GLP1R P43220 1/20 0.32
▸ EGFR P00533 1/20 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
SCHEMBL7268093 0.83 HTR4 (0.39) KAT2BHTR3A
SCHEMBL7267580 0.80 PGK1 (0.34) PGK1KAT2BMAPTLMNAVCAM1
SCHEMBL7267544 0.76 PGK1 (0.33) PGK1KAT2BHTR3AMAPTLMNA
SCHEMBL17192046 0.67 KIT (0.41) —
SCHEMBL26758091 0.67 L3MBTL1 (0.63) L3MBTL1MAPTMAPK1HTTALDH1A1
SCHEMBL26758104 0.65 L3MBTL1 (0.60) L3MBTL1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL30896410 0.63 GAA (0.40) MAPTTDP1MAPK1HTTALDH1A1
SCHEMBL11795058 0.63 PGK1 (0.48) PGK1LMNATDP1VCAM1SMN1; SMN2
SCHEMBL6254842 0.63 CA12 (0.46) PGK1MAPTLMNAMAPK1VCAM1
SCHEMBL7825439 0.63 PGK1 (0.53) PGK1L3MBTL1MAPTLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315390-B1 Novel 4-oxobenzotriazines and 4-oxoquinazolines BEECHAM GROUP PLC (GB) 1994-07-20 — — EP claimed
EP-0315390-A2 Novel 4-oxobenzotriazines and 4-oxoquinazolines BEECHAM GROUP PLC (GB) 1989-05-10 — — EP claimed
EP-0315390-B1 Novel 4-oxobenzotriazines and 4-oxoquinazolines BEECHAM GROUP PLC (GB) 1994-07-20 — — EP disclosed
US-4959367-A ANALGESICS, TRANQUILIZERS, GASTROINTESTINAL, CNS BEECHAM GROUP P.L.C. (GB) 1990-09-25 — — US disclosed
EP-0315390-A2 Novel 4-oxobenzotriazines and 4-oxoquinazolines BEECHAM GROUP PLC (GB) 1989-05-10 — — EP disclosed
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