SCHEMBL2545824

SCHEMBL2545824

CCCCCP(CCCCC)c1c2ccccc2cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CNR2 P34972 2/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
RAB9A P51151 6/20 0.39
HTT P42858 5/20 0.39
GAA P10253 4/20 0.39
GLA P06280 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL15656771 0.81 GAA (0.42) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL15658653 0.80 KDM4E (0.43) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL15656195 0.80 KDM4E (0.43) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL15657848 0.80 KDM4E (0.43) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL15657586 0.76 GAA (0.40) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15655991 0.75 TLR8 (0.39) CNR2MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL15657499 0.74 KCNH2 (0.42) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL8662577 0.74 KCNH2 (0.42) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL27948088 0.74 KCNH2 (0.42) MAPTCNR2MEN1KMT2ANPC1
SCHEMBL8207670 0.73 MAPT (0.43) MAPTMEN1KMT2ANPC1KDM4E

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-2552928-A1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST Chromafora AB (SE) 2013-02-06 EP disclosed
WO-2011123037-A1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST CHROMAFORA AB (SE) 2011-10-06 WO disclosed