SCHEMBL9329318

SCHEMBL9329318

O=C1C(=NOCCCc2ccccc2)SCCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
CCR3 P51677 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
GPR18 Q14330 1/20 0.35
GPR55 Q9Y2T6 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
SCHEMBL9329655 0.89 MAPK1 (0.46) MAPK1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9329720 0.87 MAPK1 (0.48) MAPK1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9329762 0.85 MAPK1 (0.51) MAPK1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9331863 0.84 MAPK1 (0.50) MAPK1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9331944 0.82 MAPK1 (0.48) MAPK1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9329706 0.81 MAPK1 (0.52) MAPK1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9329789 0.79 MAPK1 (0.46) MAPK1ALDH1A1HPGDDRD2HTR2A
SCHEMBL9331921 0.77 MAPK1 (0.56) MAPK1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9331927 0.77 MAPK1 (0.56) MAPK1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9329787 0.74 MAPK1 (0.48) MAPK1ALDH1A1HPGDKDM4EMEN1

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