SCHEMBL8868426

SCHEMBL8868426

O=C(Nc1ccc(CCO)cc1)c1cccs1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.73
RAB9A P51151 10/20 0.73
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
TDP1 Q9NUW8 2/20 0.73
TP53 P04637 4/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 5/20 0.64
POLB P06746 2/20 0.64
RECQL P46063 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
MAPT P10636 3/20 0.63
LMNA P02545 2/20 0.63
GFER P55789 1/20 0.63
HTT P42858 1/20 0.63
CASP3 P42574 1/20 0.62
CASP2 P42575 1/20 0.62
KDM4E B2RXH2 3/20 0.62

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
SCHEMBL8868420 0.88 NPC1 (0.73) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL29684837 0.84 RAB9A (0.71) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL308069 0.83 NPC1 (0.75) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8771200 0.80 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL19392293 0.80 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2063276 0.79 NPC1 (0.86) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL9037744 0.79 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL1929165 0.79 NPC1 (0.85) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL12136717 0.78 KMT2A (1.00) NPC1RAB9AMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6967966 0.78 ALDH1A1 (0.59) NPC1RAB9AMEN1KMT2ATDP1

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 3 patents. 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
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
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed