SCHEMBL19252633

SCHEMBL19252633

CCC1=Nc2ncccc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 4/20 0.34
THRB P10828 3/20 0.34
PIK3CD O00329 6/20 0.33
PIK3R1 P27986 6/20 0.33
GRM4 Q14833 1/20 0.32
ALOX15B O15296 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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 0.80 PIK3CD (0.42) LMNATP53MAPTTHRBPIK3CD
SCHEMBL19252625 0.76 PIK3R1 (0.43) SLC40A1THRBPIK3CDPIK3R1
SCHEMBL19251432 0.73 LMNA (0.33) LMNATP53ALDH1A1
SCHEMBL19251425 0.73 LMNA (0.36) SLC40A1LMNATP53MAPTTHRB
SCHEMBL19252643 0.67 PIK3R1 (0.39) LMNAPIK3CDPIK3R1GRM4
SCHEMBL19251617 0.64 PIK3CD (0.37) SLC40A1PIK3CDPIK3R1GRM4
SCHEMBL19252679 0.61 LMNA (0.33) LMNATP53CYP1A2CYP3A4CYP2C9
SCHEMBL18818661 0.61 SLC40A1 (0.37) SLC40A1LMNATP53MAPTL3MBTL1
SCHEMBL19251435 0.60 GRIA2 (0.32)
SCHEMBL21933495 0.60 LMNA (0.49) LMNACYP1A2GAACYP2C9CYP2C19

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