SCHEMBL19252679

SCHEMBL19252679

CCC1=Cc2ccncc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TP53 P04637 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
P2RX4 Q99571 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NR4A3 Q92570 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
SCHEMBL19251615 0.78 PIK3CD (0.33)
SCHEMBL19251425 0.75 LMNA (0.36) LMNATP53POLBELANE
SCHEMBL19252678 0.74 PIK3CD (0.34) LMNATP53CYP1A2POLBCYP3A4
SCHEMBL19251618 0.71 GAA (0.41) LMNAPOLB
SCHEMBL19251605 0.70 LMNA (0.34) LMNATP53
SCHEMBL19251435 0.70 GRIA2 (0.32)
SCHEMBL19251433 0.69 PIK3R1 (0.36)
SCHEMBL19252612 0.65 CA2 (0.32)
SCHEMBL19252627 0.64 PIK3R1 (0.45)
SCHEMBL19252631 0.62 PIK3CD (0.42) LMNATP53POLB

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