SCHEMBL5452764

SCHEMBL5452764

O=C(NC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
KMT2A Q03164 7/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 10/20 0.60
GAA P10253 2/20 0.60
KDM4E B2RXH2 1/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HPGD P15428 2/20 0.57
PKM P14618 2/20 0.55
POLB P06746 2/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL14096454 0.84 MAPT (0.76) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL14096362 0.82 KMT2A (0.71) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL14096341 0.81 RAB9A (1.00) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL14096451 0.80 KMT2A (0.82) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL15702660 0.80 ALDH1A1 (0.75) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5448328 0.79 RAB9A (0.73) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5446600 0.79 ALDH1A1 (0.78) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL31504713 0.79 MAPT (0.56) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL31504716 0.78 MAPT (0.61) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL31504718 0.78 RAB9A (0.58) MAPTNPC1RAB9AKMT2AMEN1

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