SCHEMBL10730554

SCHEMBL10730554

C1=NC(c2cccs2)=N[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL3670584 0.68 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1856101 0.68 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3284404 0.68
SCHEMBL16291133 0.68 L3MBTL1 (0.57) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3545 0.68 L3MBTL1 (0.57) KDM4EALDH1A1MEN1KMT2AL3MBTL1
Ammonia Solution, Strong SCHEMBL34467257 0.66 L3MBTL1 (0.55) KDM4EALDH1A1MEN1KMT2AL3MBTL1
Fluoride SCHEMBL491501 0.66 L3MBTL1 (0.55) KDM4EALDH1A1MEN1KMT2AL3MBTL1
Hydrogen Sulfide SCHEMBL22588115 0.66 L3MBTL1 (0.55) KDM4EALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL29519314 0.66 L3MBTL1 (0.55) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30570956 0.66 L3MBTL1 (0.55) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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-4639447-A Azolylnitriles, and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed