SCHEMBL8668357

SCHEMBL8668357

CCCS(=O)(=O)Nc1ccccc1C[S+]([O-])C1=NC(=S)C(C)(C)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.35
KCNA5 P22460 1/20 0.34
PTGS1 P23219 1/20 0.33
ADRA1A P35348 1/20 0.33
BRD4 O60885 1/20 0.31
KCNK3 O14649 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
BRAF P15056 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
SCHEMBL8670931 0.94 PARP14 (0.37) PARP14BRD4KCNK3GAAMAPT
SCHEMBL8665811 0.93 PSIP1 (0.36) PARP14KCNA5PTGS1ADRA1ATP53
SCHEMBL8669025 0.87 PTGS1 (0.35) PTGS1SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL8666442 0.84 NR3C1 (0.32)
SCHEMBL8669434 0.84 ALDH1A1 (0.40) TP53MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL8670754 0.83 MAPT (0.44) GAAMAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL8668472 0.81 AR (0.32) MAPTALDH1A1POLB
SCHEMBL8668497 0.80
SCHEMBL8665904 0.78 POLB (0.44) MAPTPOLB
SCHEMBL8665996 0.78 POLB (0.38) GAAMAPTALDH1A1POLB

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