SCHEMBL10445016

SCHEMBL10445016

CC(OCn1c(-c2ccccc2)cc(=O)[nH]c1=S)C(C)(O[SiH3])C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 3/20 0.31
LGMN Q99538 1/20 0.31
TPO P07202 1/20 0.31
DUT P33316 1/20 0.31
TAS2R38 P59533 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL10445044 0.80 SIRT2 (0.36) MPOALDH1A1KMT2A
SCHEMBL7213284 0.74 ALDH1A1 (0.43) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL9357392 0.70 ALDH1A1 (0.34) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL9357376 0.69 DUT (0.51) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL9353877 0.69 ALDH1A1 (0.42) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL26034731 0.68 MTNR1A (0.40) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL26039901 0.67 MPO (0.36) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL4378111 0.67 RAB9A (0.51) NPC1RAB9AMTNR1AMTNR1BALDH1A1
SCHEMBL10445013 0.67 MPO (0.36) MPONPC1RAB9AMTNR1AMTNR1B
SCHEMBL26064071 0.65 MPO (0.35) MPONPC1RAB9AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371139-A1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS Mitsubishi Chemical Corporation (JP) 1990-06-06 EP disclosed