SCHEMBL9616809

SCHEMBL9616809

OCCNc1nnc2ccc(Cl)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ADORA1 P30542 1/20 0.40
HPGD P15428 3/20 0.40
GBA1 P04062 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CG P48736 1/20 0.40
MCHR1 Q99705 1/20 0.40
ADORA2A P29274 1/20 0.39

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
SCHEMBL9728588 0.78 KDM4E (0.61) ALDH1A1L3MBTL1SMN1; SMN2HPGDMAPK1
SCHEMBL438682 0.75 KDM4E (0.53) ALDH1A1L3MBTL1SMN1; SMN2HTR3AHRH4
SCHEMBL6422103 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2HTR3AHRH4
SCHEMBL3488484 0.72 ALDH1A1 (1.00) ALDH1A1L3MBTL1SMN1; SMN2ADORA1HPGD
SCHEMBL13737595 0.71 KCNH2 (0.51) MAPK1KDM4EGAAMEN1KMT2A
SCHEMBL30568685 0.71 KCNH2 (0.51) MAPK1KDM4EGAAMEN1KMT2A
SCHEMBL21154138 0.71 S1PR3 (0.54) ALDH1A1L3MBTL1SMN1; SMN2RAB9APIK3CG
SCHEMBL10843711 0.69 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2ADORA1HPGD
SCHEMBL8401963 0.69 PIK3CG (0.50) ALDH1A1HTR3AMAPK1KDM4EHSD17B10
SCHEMBL11351464 0.68 PIK3CG (0.59) ALDH1A1SMN1; SMN2HTR3AMAPK1KDM4E

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-0478545-A4 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS STANFORD RES INST INT (US) 1992-08-05 EP disclosed
EP-0478545-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1992-04-08 EP disclosed
WO-1991004028-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-04-04 WO disclosed
EP-0413706-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-02-27 EP disclosed
WO-1989008647-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1989-09-21 WO disclosed