SCHEMBL28158152

SCHEMBL28158152

[CH2]c1c(OC)cc(OC)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
TLR8 Q9NR97 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
SMARCA2 P51531 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CASP3 P42574 1/20 0.33
CASP6 P55212 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL146668 0.71 LMNA (0.45) ALDH1A1KDM4ELMNAPOLB
SCHEMBL149941 0.71 POLB (0.53) ALDH1A1KDM4EHPGDLMNAGLA
SCHEMBL30434999 0.69 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL144883 0.69 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL30884721 0.68 TLR8 (0.46) ALDH1A1KDM4EHPGDTLR8NPC1
SCHEMBL4716253 0.68 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL12113956 0.67 POLB (0.44) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL31569481 0.67 POLB (0.44) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL456396 0.66 TLR8 (0.57) ALDH1A1KDM4EHPGDTLR8NPC1
SCHEMBL151590 0.66 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1RAB9ALMNA

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
CN-107252429-A New antiinflammatory 雷斯韦洛吉克斯公司 2017-10-17 CN disclosed
CN-102458405-B Novel anti-inflammatory agents 雷斯韦洛吉克斯公司 2017-06-23 CN disclosed