SCHEMBL20439232

SCHEMBL20439232

CC(C)(C)OC(=O)Cc1cccnc1S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 1/20 0.34
DTYMK P23919 1/20 0.33
METAP1 P53582 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL29839987 0.84 MTNR1A (0.42) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL20594981 0.84 MTNR1A (0.42) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL20565261 0.82 POLB (0.47) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL9847025 0.82 MTNR1A (0.44) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL27530925 0.82 MTNR1A (0.40) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL16940012 0.82 MTNR1A (0.40) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL24758783 0.81 MTNR1A (0.40) MTNR1AMTNR1BKDM4ECYP1A2MAPT
SCHEMBL9863289 0.78 MTNR1A (0.52) MTNR1AMTNR1BKDM4EALDH1A1L3MBTL1
SCHEMBL21437438 0.77 CHRM2 (0.50) MTNR1AMTNR1BKDM4EMAPTALDH1A1
SCHEMBL19841327 0.75 MTNR1A (0.36) MTNR1AMTNR1BKDM4ECYP1A2MAPT

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
US-20180216107-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2018-08-02 US disclosed