SCHEMBL11129658

SCHEMBL11129658

Oc1ccc2ccccc2c1C1NCCS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MECP2 P51608 1/20 0.49
MBD2 Q9UBB5 1/20 0.49
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
PTPN22 Q9Y2R2 1/20 0.41
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL30683724 0.79 MAPT (0.46) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL8796437 0.74 KDM1A (0.43) MAPTSMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL27290318 0.72 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1TDP1ERN1
SCHEMBL29575655 0.71 MAPT (0.48) MECP2MBD2MAPTNPSR1MEN1
SCHEMBL8951248 0.70 MAPT (0.44) MAPTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL23216669 0.70 KDM4E (0.48) MECP2MBD2MAPTNPSR1MEN1
SCHEMBL29768426 0.70 KDM4E (0.48) MECP2MBD2MAPTNPSR1MEN1
SCHEMBL27294881 0.69 MAPT (0.35) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL15858577 0.69 KDM4E (0.57) MECP2MBD2MAPTNPSR1MEN1
SCHEMBL4120535 0.68 PRCP (0.50) MAPTNPSR1MEN1KMT2AHTT

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
JP-58032871-A None JP disclosed
JP-S5832871-A ARYLTHIAZOLIDINE COMPOUND SANTEN PHARMACEUT CO LTD 1983-02-25 JP disclosed