SCHEMBL11545504

SCHEMBL11545504

Clc1ccc(N/N=C/c2cccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.59
SMN1; SMN2 Q16637 10/20 0.59
GAA P10253 9/20 0.59
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 5/20 0.56
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
MITF O75030 1/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 5/20 0.49
HTT P42858 3/20 0.49
ATM Q13315 2/20 0.49
THRB P10828 2/20 0.49

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
SCHEMBL11545508 1.00 MAPT (0.59) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL3067385 0.84 MAPT (0.64) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL3067386 0.84 MAPT (0.64) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL11544435 0.83 GAA (0.56) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL11544430 0.83 GAA (0.56) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL6130732 0.77 CA1 (0.69) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL6130737 0.77 CA1 (0.69) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL11545493 0.72 MAPT (0.86) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL11545496 0.72 MAPT (0.86) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL4043916 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163793-A Use of certain thiophenecarbaldehyde phenylhydrazones as fungicides SHELL OIL COMPANY (US) 1979-08-07 US claimed
US-4163793-A Use of certain thiophenecarbaldehyde phenylhydrazones as fungicides SHELL OIL COMPANY (US) 1979-08-07 US disclosed