SCHEMBL5455082

SCHEMBL5455082

O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccoc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 2/20 0.49
EPHX1 P07099 5/20 0.49
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPV1 Q8NER1 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
SCHEMBL5459767 0.87 ALDH1A1 (0.59) ALDH1A1MAPTEPHX1LMNAKDM4E
SCHEMBL5454023 0.82 EPHX1 (0.49) ALDH1A1MEN1KMT2AEPHX1NPC1
SCHEMBL5453192 0.82 EPHX1 (0.65) ALDH1A1MEN1MAPTKMT2AEPHX1
SCHEMBL28945218 0.82 EPHX1 (0.73) ALDH1A1MEN1MAPTKMT2AEPHX1
SCHEMBL14096413 0.81 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2AEPHX1
SCHEMBL5464193 0.79 ALDH1A1 (0.59) ALDH1A1MEN1MAPTKMT2AEPHX1
Hydrochloric Acid SCHEMBL3724823 0.78 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2AEPHX1
Hydrochloric Acid SCHEMBL3724826 0.78 PTGS1 (0.71) ALDH1A1MEN1MAPTKMT2AEPHX1
SCHEMBL5450412 0.78 MAPT (0.43) ALDH1A1MEN1MAPTKMT2AEPHX2
SCHEMBL3039438 0.77 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AEPHX1LMNA

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