SCHEMBL10370586

SCHEMBL10370586

O=C(NCCNCCO)c1c(O)c2ccccc2c2nc3ncccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
TSHR P16473 3/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PKMYT1 Q99640 1/20 0.35

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
SCHEMBL10370567 0.84 KDM4E (0.44) KDM4ETSHRALOX15SMN1; SMN2HTT
SCHEMBL10369784 0.83 KDM4E (0.46) KDM4ETSHRALOX15SMN1; SMN2HTT
SCHEMBL11088487 0.82 MEN1 (0.51) KDM4ETSHRALOX15SMN1; SMN2HTT
SCHEMBL10369480 0.81 ALDH1A1 (0.35) KDM4ETSHRALOX15SMN1; SMN2HTT
SCHEMBL10370537 0.73 ALDH1A1 (0.46) KDM4ESMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL11079267 0.71 KMT2A (0.40) KDM4ESMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL10370461 0.71 HTT (0.45) KDM4EALOX15HTTALDH1A1HSD17B10
SCHEMBL10371855 0.70 RAD52 (0.44) SMN1; SMN2HTTALDH1A1
SCHEMBL11082781 0.70 KDM4E (0.47) KDM4ETSHRALOX15SMN1; SMN2HTT
SCHEMBL11090325 0.70 KDM4E (0.48) KDM4ESMN1; SMN2HTTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234931-B1 AZAANTHRACENE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-06-27 EP claimed
EP-0234931-A1 Azaanthracene compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1987-09-02 EP claimed
EP-0234931-B1 AZAANTHRACENE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-06-27 EP disclosed
EP-0234931-A1 Azaanthracene compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1987-09-02 EP disclosed