SCHEMBL8825992

SCHEMBL8825992

COc1nc(Br)cn2nc(SCc3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
METAP2 P50579 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.40
CKS1B P61024 3/20 0.39
SKP2 Q13309 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7842366 0.80 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL7851079 0.75 PDE10A (0.50) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL9641813 0.75 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL7841610 0.74 RAB9A (0.48) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL9833711 0.74 RAB9A (0.56) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL9534369 0.74 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL7851305 0.72 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL9831659 0.71 RAB9A (0.60) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL9539074 0.71 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1METAP2KMT2A
SCHEMBL9640970 0.70 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1METAP2KMT2A

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-5602075-A N-aryl[1,2,4]triazolo[1,5-a]pyrazine-2-sulfonamide herbicides DOWELANCO (US) 1997-02-11 US disclosed