SCHEMBL10023985

SCHEMBL10023985

O=S(=O)(O)CCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 5/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
RAD52 P43351 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 8/20 0.51
PIM1 P11309 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.49
SLC22A1 O15245 1/20 0.49
PRNP P04156 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL48681 0.90 MEN1 (0.58) MEN1KMT2ALMNAMAPTTP53
SCHEMBL30115197 0.90 MEN1 (0.58) MEN1KMT2ALMNAMAPTTP53
SCHEMBL30115198 0.90 MEN1 (0.58) MEN1KMT2ALMNAMAPTTP53
SCHEMBL48847 0.89 MEN1 (0.57) MEN1KMT2ALMNAMAPTTP53
SCHEMBL8444747 0.89 MEN1 (0.57) MEN1KMT2ALMNAMAPTTP53
SCHEMBL49291 0.89 PIM1 (0.59) MEN1KMT2ALMNAMAPTTP53
SCHEMBL31384188 0.89 PIM1 (0.59) MEN1KMT2ALMNAMAPTTP53
SCHEMBL3774114 0.87 PIM1 (0.58) MEN1KMT2ALMNAMAPTTP53
SCHEMBL4385090 0.82 MEN1 (0.53) MEN1KMT2ALMNAMAPTTP53
SCHEMBL9102418 0.79 MAPT (0.53) MEN1KMT2ALMNAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124443-B2 Organic diodes and materials MARROCCO MATTHEW L (US) 2012-02-28 US disclosed
US-20100112751-A1 ORGANIC DIODES AND MATERIALS MARROCCO III MATTHEW L 2010-05-06 US disclosed
US-7655961-B2 Organic diodes and materials MAXDEM INCORPORATED (US) 2010-02-02 US disclosed