SCHEMBL28058868

SCHEMBL28058868

c1ccc2c(c1)Cc1ccccc1N2c1cccc2nc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 3/20 0.47
GLA P06280 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
PTBP1 P26599 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 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
SCHEMBL6024042 0.80 HPGD (0.40) KDM4EHPGDRAB9AALDH1A1KMT2A
SCHEMBL28171508 0.78 ALDH1A1 (0.47) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL10941014 0.78 POLB (0.52) KDM4EHPGDALDH1A1NPC1KMT2A
SCHEMBL28475699 0.77 HPGD (0.46) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL4072228 0.76 TLR9 (0.50) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL30497722 0.76 TLR9 (0.50) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL18493260 0.74 KDM4E (0.50) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL27873991 0.73 NCF1 (0.55) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL17954939 0.73 MAPT (0.42) KDM4EHPGDALDH1A1KMT2ALMNA
SCHEMBL28283393 0.72 KMT2A (0.56) KDM4EHPGDRAB9AALDH1A1NPC1

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
CN-105555279-A Inhibition of MicroRNA for treatment of sepsis LONDON HEALTH SCI CT RES INC 2016-05-04 CN disclosed