SCHEMBL8670141

SCHEMBL8670141

CC1(C)NC([S+]([O-])Cc2ccccc2NCCO)=NC1=S

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8666674 0.89
SCHEMBL8668472 0.85 AR (0.32) KDM4E
SCHEMBL8669025 0.82 PTGS1 (0.35) KDM4E
SCHEMBL8669042 0.82 ALDH1A1 (0.34) KDM4ECYP2C19
SCHEMBL8668497 0.81
SCHEMBL8670484 0.80 KCNK3 (0.41) CYP2C19
SCHEMBL8665904 0.79 POLB (0.44)
SCHEMBL8665811 0.79 PSIP1 (0.36)
SCHEMBL8665996 0.79 POLB (0.38)
SCHEMBL8667079 0.78 POLB (0.53) KDM4E

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