SCHEMBL7870538

SCHEMBL7870538

COc1nc(F)cc2nc(N)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.42
NUDT1 P36639 5/20 0.39
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KPNA2 P52292 1/20 0.35
PIK3CG P48736 2/20 0.33
PIK3CD O00329 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TUBB4A P04350 1/20 0.32

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
SCHEMBL29690333 0.83 NUDT1 (0.35) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL15579070 0.81 NUDT1 (0.43) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL8030891 0.75 TRPV4 (0.30) SMN1; SMN2
SCHEMBL7870509 0.71 JAK1 (0.50) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL8113170 0.69 TSHR (0.39) TSHR
SCHEMBL910274 0.67 GAA (0.42) GAATSHRSMN1; SMN2MAPK1
SCHEMBL7859414 0.67 JAK2 (0.38) JAK1KDM4EALDH1A1HPGDHTT
SCHEMBL31489196 0.67 JAK1 (0.39) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL31489390 0.67 JAK1 (0.39) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL4063510 0.63 NUDT1 (0.38) JAK1NUDT1KDM4EALDH1A1HPGD

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
EP-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP disclosed