SCHEMBL28082044

SCHEMBL28082044

c1ccc(C(=C(c2nc3ccccc3o2)c2nc3ccccc3o2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
GAA P10253 3/20 0.46
FAAH O00519 2/20 0.46
CES1 P23141 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SCD O00767 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3213370 0.96 XDH (0.51) XDHRAB9ANPC1GAAFAAH
SCHEMBL250149 0.94 XDH (0.52) XDHRAB9ANPC1GAAFAAH
SCHEMBL29610262 0.94 XDH (0.52) XDHRAB9ANPC1GAAFAAH
SCHEMBL6688216 0.84 XDH (0.51) XDHRAB9ANPC1GAAFAAH
SCHEMBL12545534 0.80 XDH (0.50) XDHRAB9ANPC1GAAFAAH
SCHEMBL27909818 0.80 SCD (0.57) XDHRAB9ANPC1GAAFAAH
SCHEMBL8032979 0.79 XDH (0.54) XDHRAB9ANPC1GAAFAAH
SCHEMBL1590095 0.77 FAAH (0.55) XDHRAB9ANPC1GAAFAAH
SCHEMBL458166 0.76 XDH (0.49) XDHRAB9ANPC1GAAFAAH
SCHEMBL17951858 0.76 FAAH (0.54) XDHRAB9ANPC1FAAHCES1

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
CN-105705609-B The proppant of dust Control with improvement DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-29 CN claimed
CN-105705609-A Proppants with improved dust control 陶氏环球技术有限责任公司 2016-06-22 CN claimed
CN-105705609-B The proppant of dust Control with improvement DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-29 CN disclosed
CN-105705609-A Proppants with improved dust control 陶氏环球技术有限责任公司 2016-06-22 CN disclosed