SCHEMBL5453480

SCHEMBL5453480

O=C(NC(=S)Nc1cccc(SC(F)F)c1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 10/20 0.61
MAPT P10636 9/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.53
GAA P10253 2/20 0.50
KCNH2 Q12809 2/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5448299 0.87 NPC1 (0.66) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL14096526 0.76 KMT2A (1.00) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL14096559 0.75 NPC1 (1.00) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL14096417 0.74 ALDH1A1 (0.71) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL28600551 0.71 MAPT (0.80) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6848441 0.71 NPC1 (0.76) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL23011772 0.70 KCNK3 (0.82) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31504702 0.69 ALDH1A1 (0.55) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL31504705 0.69 ALDH1A1 (0.59) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL8291149 0.69 NPC1 (0.67) NPC1RAB9AALDH1A1MAPTMEN1

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed