SCHEMBL8670484

SCHEMBL8670484

CC1(C)NC([S+]([O-])Cc2ccccc2NC(=O)c2ccccc2)=NC1=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
NR1H4 Q96RI1 1/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 2/20 0.38
PSMB8 P28062 1/20 0.36
NTRK1 P04629 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC16A3 O15427 1/20 0.35
MDM4 O15151 2/20 0.35
TP53 P04637 2/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL8669042 0.88 ALDH1A1 (0.34) POLBHPGDLMNACYP2C19MAPK1
SCHEMBL8667289 0.86 ALDH1A1 (0.40) POLBMAPTKMT2A
SCHEMBL8665996 0.84 POLB (0.38) POLBMAPTKMT2A
SCHEMBL8670553 0.84 ALDH1A1 (0.38) POLBHPGDLMNAMAPTHDAC3
SCHEMBL8665904 0.83 POLB (0.44) POLBMAPTHDAC3HDAC1HDAC2
SCHEMBL8666644 0.82 LMNA (0.43) POLBLMNAKMT2A
SCHEMBL8659987 0.77 KCNK3 (0.42) KCNK3KCNK9NR1H4POLBHPGD
SCHEMBL8654927 0.70 KCNK3 (0.42) KCNK3KCNK9NR1H4POLBHPGD
SCHEMBL528445 0.67 KCNK3 (0.77) KCNK3KCNK9NR1H4POLBHPGD
SCHEMBL6971074 0.66 NR1H4 (0.57) KCNK3KCNK9NR1H4POLBHPGD

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