SCHEMBL5450412

SCHEMBL5450412

O=C(NC(=S)Nc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1)c1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
ALOX12 P18054 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.40
CCR6 P51684 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX1 P07099 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5455082 0.78 ALDH1A1 (0.53) MAPTALDH1A1MEN1ALOX12KMT2A
SCHEMBL5464193 0.75 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5453192 0.73 EPHX1 (0.65) MAPTALDH1A1MEN1ALOX12KMT2A
SCHEMBL5454023 0.73 EPHX1 (0.49) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL5459767 0.73 ALDH1A1 (0.59) MAPTALDH1A1NPSR1KDM4EEPHX1
SCHEMBL13956786 0.69 EPHX1 (0.62) MAPTALDH1A1MEN1ALOX12KMT2A
SCHEMBL861663 0.68 MAPT (0.50) MAPTALDH1A1MEN1ALOX12KMT2A
SCHEMBL5452764 0.68 MAPT (0.67) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5451532 0.67 PLK1 (0.47) KMT2AKCNK3KCNK9NPC1RAB9A
SCHEMBL4185021 0.67 ALDH1A1 (0.60) MAPTALDH1A1MEN1ALOX12KMT2A

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