SCHEMBL9329655

SCHEMBL9329655

O=C1C(=NOCCCO)SCCN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
MDM2 Q00987 1/20 0.35
GAA P10253 1/20 0.35
GSK3A P49840 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
SCHEMBL9329318 0.89 MAPK1 (0.47) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9329720 0.86 MAPK1 (0.48) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9329762 0.84 MAPK1 (0.51) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9331863 0.83 MAPK1 (0.50) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9331944 0.81 MAPK1 (0.48) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9329706 0.80 MAPK1 (0.52) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9331927 0.79 MAPK1 (0.56) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9331921 0.79 MAPK1 (0.56) MAPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL9329789 0.78 MAPK1 (0.46) MAPK1ALDH1A1HPGDPOLBNPC1
SCHEMBL9329787 0.76 MAPK1 (0.48) MAPK1ALDH1A1HPGDKMT2AMEN1

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
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