SCHEMBL8668472

SCHEMBL8668472

CNc1ccccc1C[S+]([O-])C1=NC(=S)C(C)(C)N1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATP4A P20648 1/20 0.30
ATP4B P51164 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
SCHEMBL8668497 0.86
SCHEMBL8670141 0.85 KDM4E (0.32) KDM4E
SCHEMBL8669025 0.85 PTGS1 (0.35) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8666674 0.85
SCHEMBL8665811 0.84 PSIP1 (0.36) ALDH1A1POLBMAPT
SCHEMBL8670484 0.82 KCNK3 (0.41) POLBMAPTHPGD
SCHEMBL8669434 0.82 ALDH1A1 (0.40) KDM4EUSP2ALDH1A1POLBMAPT
SCHEMBL8666442 0.82 NR3C1 (0.32)
SCHEMBL8668788 0.82 ATP4A (0.30) ATP4AATP4B
SCHEMBL8668357 0.81 PARP14 (0.35) ALDH1A1POLBMAPT

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