SCHEMBL22946643

SCHEMBL22946643

Cn1cc2ccc(S(C)(=O)=O)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NSD2 O96028 1/20 0.54
ACSS2 Q9NR19 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37
NPBWR1 P48145 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
NOTUM Q6P988 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3213503 0.74 PTGS2 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL422734 0.72 MAPT (0.63) MAPTALDH1A1KDM4ENSD2KDR
SCHEMBL22946640 0.71 KDM4E (0.61) MAPTALDH1A1KDM4ENSD2KDR
SCHEMBL420104 0.71 MAPT (0.61) MAPTALDH1A1KDM4ENSD2CYP3A4
SCHEMBL17794415 0.71 MAPT (0.61) MAPTALDH1A1KDM4ENSD2KDR
SCHEMBL22946632 0.71 KDM4E (0.61) MAPTALDH1A1KDM4ENSD2KDR
SCHEMBL1489105 0.71 KDM4E (1.00) MAPTALDH1A1KDM4ENSD2KDR
SCHEMBL22737499 0.71 KDM4E (0.61) MAPTALDH1A1KDM4ENSD2KDR
SCHEMBL21327731 0.70 CHRNA7 (0.50) MAPTALDH1A1KDM4ENSD2
SCHEMBL21604627 0.70 ALDH1A1 (0.56) MAPTALDH1A1KDM4ENSD2KDR

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-2021016670-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2021-02-04 WO disclosed