SCHEMBL11575192

SCHEMBL11575192

CC(=O)NCCSC(C)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MTNR1A P48039 11/20 0.37
MTNR1B P49286 9/20 0.37
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
KMT2A Q03164 2/20 0.34
ZDHHC7 Q9NXF8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL11531715 0.75
SCHEMBL11647272 0.74 L3MBTL1 (0.32) TSHRL3MBTL1CYP1A2CYP2C19
SCHEMBL11570434 0.74 L3MBTL1 (0.32) TSHRL3MBTL1CYP1A2CYP2C19
SCHEMBL24015835 0.69 ACACB (0.34) L3MBTL1
SCHEMBL28660632 0.69 MTNR1A (0.58) TSHRALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL514228 0.68 QPCT (0.49) TSHRALDH1A1MTNR1AMTNR1BQPCT
SCHEMBL179677 0.68 TSHR (0.60) TSHRALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL11575203 0.67 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL22023852 0.66
SCHEMBL16136378 0.64 NPSR1 (0.50) ALDH1A1MTNR1AQPCTQPCTLKMT2A

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-53141271-A None JP disclosed
JP-S53141271-A HETEROCYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION YAMANOUCHI PHARMACEUT CO LTD 1978-12-08 JP disclosed