SCHEMBL8825876

SCHEMBL8825876

Brc1nccn2nc(SCc3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 6/20 0.58
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
METAP2 P50579 1/20 0.41
ALOX15B O15296 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL8825756 0.85 RAB9A (0.59) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL8825655 0.76 HSD17B10 (0.47) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL7013765 0.75 RAB9A (0.57) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL7016465 0.75 RAB9A (0.57) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL9832053 0.73 RAB9A (1.00) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL7841610 0.73 RAB9A (0.48) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL8825750 0.72 RAB9A (0.57) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL7018170 0.71 RAB9A (0.62) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL7014552 0.70 RAB9A (0.51) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL1029180 0.70 HSD17B10 (1.00) RAB9ANPC1HSD17B10MEN1KMT2A

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