SCHEMBL9503675

SCHEMBL9503675

CCC(C1CCCCC1)C(C(=O)O)(C(N)=S)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.35

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
SCHEMBL9507169 0.92 KDM4E (0.40) KDM4EMAPTSLC22A2SLC22A1PGR
SCHEMBL9503390 0.85 KDM4E (0.41) KDM4EMAPTSLC22A2SLC22A1PGR
SCHEMBL9507126 0.72 SMN1; SMN2 (0.44) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL9505436 0.72 SMN1; SMN2 (0.44) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL9505474 0.72 KEAP1 (0.39) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL9503407 0.71 SMN1; SMN2 (0.43) KDM4ESLC22A2SLC22A1PGRTHRB
SCHEMBL9503387 0.70 SMN1; SMN2 (0.45) KDM4ESLC22A2SLC22A1PGRTHRB
SCHEMBL10856206 0.69 KDM4E (0.42) KDM4EKCNH2CYP3A4TSHRMEN1
SCHEMBL9503672 0.69 MEN1 (0.43) KDM4ESLC22A2SLC22A1PGRTHRB
SCHEMBL9507165 0.68 MEN1 (0.43) KDM4EMEN1KMT2ANPC1SMN1; SMN2

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-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 EP claimed