SCHEMBL8669434

SCHEMBL8669434

CC1(C)NC([S+]([O-])Cc2ccccc2NS(=O)(=O)c2ccccc2)=NC1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
AGTR1 P30556 1/20 0.34
GLO1 Q04760 1/20 0.34
PAX8 Q06710 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8670754 0.94 MAPT (0.44) ALDH1A1POLBTSHRMAPTLMNA
SCHEMBL8669025 0.88 PTGS1 (0.35) ALDH1A1POLBTSHRSMN1; SMN2KDM4E
SCHEMBL8665811 0.87 PSIP1 (0.36) ALDH1A1POLBTSHRMAPTTP53
SCHEMBL8666442 0.85 NR3C1 (0.32)
SCHEMBL8668472 0.82 AR (0.32) ALDH1A1POLBMAPTKDM4EUSP2
SCHEMBL8670484 0.79 KCNK3 (0.41) POLBMAPTLMNATP53KMT2A
SCHEMBL8668788 0.75 ATP4A (0.30)
SCHEMBL8666644 0.74 LMNA (0.43) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL8666979 0.71 MGLL (0.45) MAPTLMNAKMT2AMEN1
SCHEMBL8665826 0.71 ALOX5AP (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed