SCHEMBL14565645

SCHEMBL14565645

O=C(O)c1ccc2nc(-c3ccccc3)c(C3CCCCC3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.66
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 3/20 0.66
GAA P10253 3/20 0.66
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPT P10636 4/20 0.51
CDH1 P12830 1/20 0.51
APC P25054 1/20 0.51
CTNNB1 P35222 1/20 0.51
TCF7L2 Q9NQB0 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMO O15229 1/20 0.48

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
SCHEMBL14565646 1.00 HPGD (0.66) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL28079387 0.82 L3MBTL1 (0.58) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL30555665 0.81 ALDH1A1 (1.00) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL6291531 0.81 ALDH1A1 (1.00) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL1457965 0.80 HPGD (0.61) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL1458801 0.79 HPGD (0.51) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL15666427 0.78 HPGD (0.93) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL15665863 0.78 HPGD (0.93) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL1458664 0.76 HPGD (0.60) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL4123155 0.76 L3MBTL1 (0.60) HPGDALDH1A1KDM4EGAARAB9A

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
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed