SCHEMBL22925052

SCHEMBL22925052

O=C(N/N=C/c1cccc(Br)c1)c1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.82
TDP1 Q9NUW8 2/20 0.82
PLEC Q15149 1/20 0.82
CTDSP1 Q9GZU7 1/20 0.82
RAB9A P51151 8/20 0.72
NPC1 O15118 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MAPT P10636 6/20 0.65
KMT2A Q03164 6/20 0.65
RECQL P46063 1/20 0.65
LMNA P02545 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
DUSP3 P51452 2/20 0.60
PTPN5 P54829 2/20 0.60
PTPN11 Q06124 2/20 0.60
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL10026686 0.89 POLB (0.86) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL17825558 0.88 POLB (0.84) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL17825555 0.88 POLB (0.84) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL13475715 0.87 POLB (0.84) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL12443154 0.84 POLB (0.78) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL28484762 0.83 RAB9A (0.74) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL11983704 0.82 POLB (0.74) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL1669543 0.80 SIRT1 (0.72) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL19283325 0.80 NPC1 (0.74) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL1669542 0.80 SIRT1 (0.72) POLBTDP1RAB9ANPC1SMN1; SMN2

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
WO-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed