SCHEMBL5448299

SCHEMBL5448299

O=C(NC(=S)Nc1ccc(SC(F)F)cc1)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
MAPT P10636 11/20 0.62
ALDH1A1 P00352 11/20 0.62
MEN1 O00255 9/20 0.59
KMT2A Q03164 9/20 0.59
LMNA P02545 5/20 0.59
GAA P10253 4/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPK1 P28482 1/20 0.59
KCNH2 Q12809 1/20 0.59
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PKM P14618 2/20 0.58
BLM P54132 2/20 0.58
HPGD P15428 4/20 0.57
ALOX12 P18054 2/20 0.57

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
SCHEMBL5453480 0.87 NPC1 (0.64) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL28600551 0.79 MAPT (0.80) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL6848441 0.79 NPC1 (0.76) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL5445846 0.76 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL12316859 0.75 RAB9A (0.78) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL6849612 0.72 MAPT (0.76) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL5450295 0.72 LMNA (0.76) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL5448046 0.71 ALDH1A1 (1.00) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL14096518 0.71 ALDH1A1 (1.00) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL21588758 0.70 ALDH1A1 (0.57) NPC1RAB9AMAPTALDH1A1MEN1

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