SCHEMBL9329706

SCHEMBL9329706

CON=C1SCCN(Cc2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FGB P02675 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9331874 0.89 ALDH1A1 (0.58) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9329726 0.88 HTT (0.55) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9331863 0.87 MAPK1 (0.50) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9329331 0.87 POLB (0.60) POLBALDH1A1HTTMAPTCYP2C19
SCHEMBL9329762 0.85 MAPK1 (0.51) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9329794 0.85 HTT (0.56) POLBALDH1A1HTTMAPTCYP2D6
SCHEMBL9329720 0.85 MAPK1 (0.48) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9331944 0.82 MAPK1 (0.48) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9329787 0.82 MAPK1 (0.48) MAPK1POLBALDH1A1HPGDHTT
SCHEMBL9331927 0.82 MAPK1 (0.56) MAPK1POLBALDH1A1HPGDHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393109-B1 NOVEL 2,3-THIOMORPHOLINEDIONE-2-OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZET (HU) 1994-03-23 EP claimed
US-5106846-A Antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1992-04-21 US claimed
EP-0393109-B1 NOVEL 2,3-THIOMORPHOLINEDIONE-2-OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZET (HU) 1994-03-23 EP disclosed
US-5106846-A Antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1992-04-21 US disclosed