SCHEMBL19252678

SCHEMBL19252678

CCC1=Nc2ccncc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.34
PIK3R1 P27986 7/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
GRM4 Q14833 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 2/20 0.30
NR4A3 Q92570 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19252631 0.85 PIK3CD (0.42) PIK3CDPIK3R1LMNATP53POLB
SCHEMBL19252627 0.77 PIK3R1 (0.45) PIK3CDPIK3R1GRM4
SCHEMBL19252633 0.75 SLC40A1 (0.37) PIK3CDPIK3R1LMNATP53GRM4
SCHEMBL19252679 0.74 LMNA (0.33) LMNATP53CYP1A2POLBCYP3A4
SCHEMBL19251432 0.72 LMNA (0.33) LMNATP53ALDH1A1SMN1; SMN2
SCHEMBL19252635 0.71 PIK3R1 (0.48) PIK3CDPIK3R1POLBALDH1A1
SCHEMBL19252639 0.68 PIK3R1 (0.41) PIK3CDPIK3R1
SCHEMBL14627845 0.68 CA9 (0.42) LMNATP53POLBALDH1A1
SCHEMBL8623459 0.68 NPC1 (0.36) PIK3CDCYP3A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL19252985 0.65 SIRT3 (0.32)

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-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 WO disclosed