SCHEMBL9728588

SCHEMBL9728588

OCCNc1nnc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
MAPK1 P28482 3/20 0.61
ALDH1A1 P00352 6/20 0.55
GAA P10253 4/20 0.55
GLA P06280 2/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 3/20 0.53
RAB9A P51151 2/20 0.51
RAD52 P43351 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
RECQL P46063 2/20 0.50
MCL1 Q07820 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL9616809 0.78 ALDH1A1 (0.56) KDM4EMAPK1ALDH1A1GAAGLA
SCHEMBL12199181 0.76 KDM4E (1.00) KDM4EMAPK1ALDH1A1GAAGLA
Diethylamine SCHEMBL9616787 0.76 APP (0.47) KDM4EALDH1A1L3MBTL1
SCHEMBL9616705 0.76 TOP2A (0.56) KDM4EGAAGLAPOLBRAB9A
SCHEMBL31582428 0.74 ALDH1A1 (0.63) KDM4EMAPK1ALDH1A1GAAGLA
SCHEMBL2323024 0.74 ALDH1A1 (0.63) KDM4EMAPK1ALDH1A1GAAGLA
SCHEMBL13367213 0.74 HDAC1 (0.39)
SCHEMBL24038284 0.73 APP (0.70) KDM4EMAPK1ALDH1A1GAAGLA
SCHEMBL12058552 0.72 ELANE (0.39) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL11340503 0.71 ALDH1A1 (0.49) KDM4EMAPK1ALDH1A1GAAGLA

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
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