SCHEMBL25854530

SCHEMBL25854530

NC(=O)Nc1ccc2ncsc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.55
RAB9A P51151 12/20 0.55
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
KDM4E B2RXH2 3/20 0.53
HKDC1 Q2TB90 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
OTUD7B Q6GQQ9 1/20 0.48
USP30 Q70CQ3 1/20 0.48
NAMPT P43490 1/20 0.48
HSD11B1 P28845 1/20 0.48
SYK P43405 1/20 0.46
NTRK1 P04629 1/20 0.46

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
SCHEMBL22341606 0.85 NPC1 (0.58) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL13159758 0.84 NPC1 (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL8863163 0.84 LDHA (0.57) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL23510755 0.80 NPC1 (0.45) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL8757250 0.80 NPC1 (0.57) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL411193 0.80 RAB9A (0.57) NPC1RAB9AKMT2AMEN1GFER
SCHEMBL12354787 0.80 NTRK1 (0.55) NPC1RAB9AKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL5548005 0.80 NPC1 (0.57) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL14697393 0.80 NPC1 (0.54) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7452160 0.79 NPC1 (0.64) NPC1RAB9AKMT2AMEN1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102165918-B Tissue culturing and regenerating method of eucalyptus pellita UNIV ZHANJIANG NORMAL 2012-10-17 CN claimed
CN-102165918-A Tissue culturing and regenerating method of eucalyptus pellita UNIV ZHANJIANG NORMAL 2011-08-31 CN claimed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
CN-102165918-B Tissue culturing and regenerating method of eucalyptus pellita UNIV ZHANJIANG NORMAL 2012-10-17 CN disclosed
CN-102165918-A Tissue culturing and regenerating method of eucalyptus pellita UNIV ZHANJIANG NORMAL 2011-08-31 CN disclosed
CN-102168105-A Method for genetic transformation and regeneration of eucalyptus urophylla UNIV ZHANJIANG NORMAL 2011-08-31 CN disclosed