SCHEMBL19415772

SCHEMBL19415772

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CCN(C)C)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GSR P00390 9/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ USP2 O75604 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ S1PR2 O95136 1/20 0.38

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
SCHEMBL15909979 0.91 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL15909985 0.86 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL16476450 0.85 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL27033894 0.84 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL16476446 0.82 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGLA
Iodide SCHEMBL17254512 0.81 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL16476452 0.81 KDM4E (0.42) KDM4EMAPTMEN1USP2KMT2A
SCHEMBL14399199 0.80 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL15901239 0.79 MEN1 (0.67) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL13965818 0.79 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225112-A1 PHOTOSENSITISER DISPERSION AND USE OF THE SAME Universitätsklinikum Regensburg (DE) 2017-10-04 — — EP disclosed
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