SCHEMBL8669042

SCHEMBL8669042

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSPO P30536 1/20 0.31
BRD4 O60885 1/20 0.31
FEN1 P39748 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
PTK2 Q05397 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8667289 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL8670484 0.88 KCNK3 (0.41) HPGDMAPK1LMNAPOLBCYP2C19
SCHEMBL8665996 0.87 POLB (0.38) ALDH1A1HTTGAAPOLBKMT2A
SCHEMBL8670553 0.86 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1KDM4ELMNA
SCHEMBL8665904 0.86 POLB (0.44) HTTPOLBKMT2A
SCHEMBL8667078 0.86 SLC29A1 (0.37) ALDH1A1LMNATSHRSMN1; SMN2POLB
SCHEMBL8668472 0.85 AR (0.32) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL8666644 0.85 LMNA (0.43) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL8669025 0.82 PTGS1 (0.35) ALDH1A1HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL8665811 0.81 PSIP1 (0.36) ALDH1A1TSHRPOLB

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