SCHEMBL18912554

SCHEMBL18912554

O=C(Nc1ncc[nH]1)c1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.46
HPGDS O60760 1/20 0.45
HDAC1 Q13547 2/20 0.44
RPS6KA3 P51812 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
KLF5 Q13887 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
FDPS P14324 1/20 0.40
CSF1R P07333 1/20 0.39
FFAR2 O15552 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL11781086 0.81 FFAR2 (0.57) HPGDSNPC1RAB9AMEN1KMT2A
SCHEMBL11783362 0.81 RAB9A (0.55) HPGDSHDAC1NPC1RAB9APKM
SCHEMBL11780474 0.81 GAA (0.55) HPGDSRPS6KA3RPS6KA2RAB9AKMT2A
SCHEMBL6825870 0.81 NPC1 (0.54) HPGDSNPC1RAB9APKMMEN1
SCHEMBL11780144 0.79 NPC1 (0.61) HPGDSHDAC1NPC1RAB9AMEN1
SCHEMBL11783576 0.79 DEGS1 (0.50) MAPT
SCHEMBL3759860 0.78 HPGDS (0.47) PTGESHPGDSRPS6KA3RPS6KA2NPC1
SCHEMBL11780127 0.78 HPGDS (0.50) PTGESHPGDSRPS6KA3RPS6KA2NPC1
SCHEMBL11781274 0.78 HPGDS (0.66) HPGDSHDAC1NPC1RAB9APKM
SCHEMBL11783395 0.75 HPGDS (0.46) PTGESHPGDSRPS6KA3RPS6KA2NPC1

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
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed