SCHEMBL28113594

SCHEMBL28113594

Cn1c(CC(Cc2ccccc2)OC=O)n[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
DAO P14920 1/20 0.34
CTSK P43235 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MTNR1B P49286 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 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
SCHEMBL18085416 0.77 EPHX1 (0.48) MEN1KMT2ACTSKTAAR1CTSL
SCHEMBL28113592 0.76 TSHR (0.42) LMNAGLAMEN1KMT2ADAO
SCHEMBL27498107 0.73 BRD4 (0.42) LMNAMEN1KMT2AALDH1A1
SCHEMBL28045730 0.71 CTSK (0.37) LMNAMEN1KMT2ACTSKALDH1A1
SCHEMBL28113600 0.71 CTSK (0.36) TDP1L3MBTL1MEN1KMT2ACTSK
SCHEMBL2513747 0.71 TSHR (0.47) TDP1LMNAGLANPC1RAB9A
SCHEMBL28113598 0.70 CTSK (0.34) NPC1RAB9AMEN1KMT2ACTSK
SCHEMBL28074772 0.69 CTSK (0.36) MEN1KMT2ACTSKTAAR1CTSL
SCHEMBL28045695 0.69 CTSK (0.34) MEN1KMT2ACTSKTAAR1CTSL
SCHEMBL27931420 0.69 RAB9A (0.39) TDP1NPC1RAB9AKMT2AALDH1A1

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
CN-106304835-A Sgc stimulant 铁木医药有限公司 2017-01-04 CN disclosed