SCHEMBL9503390

SCHEMBL9503390

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38
OPRK1 P41145 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE3A Q14432 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL9503675 0.85 KDM4E (0.41) KDM4EMAPTPKMSLC22A2SLC22A1
SCHEMBL9507169 0.84 KDM4E (0.40) KDM4EMAPTSLC22A2SLC22A1PGR
SCHEMBL9505474 0.74 KEAP1 (0.39) KDM4EMAPTPKMSMN1; SMN2MEN1
SCHEMBL9507126 0.72 SMN1; SMN2 (0.44) KDM4EMAPTPKMSMN1; SMN2MEN1
SCHEMBL9505436 0.72 SMN1; SMN2 (0.44) KDM4EMAPTPKMSMN1; SMN2MEN1
SCHEMBL9503407 0.71 SMN1; SMN2 (0.43) KDM4EPKMSLC22A2SLC22A1PGR
SCHEMBL9503387 0.71 SMN1; SMN2 (0.45) KDM4EPKMSLC22A2SLC22A1PGR
SCHEMBL15130372 0.70 KDM4E (0.40) KDM4EMAPTPKMCYP3A4TSHR
SCHEMBL9503672 0.69 MEN1 (0.43) KDM4EPKMSLC22A2SLC22A1PGR
Hydrochloric Acid SCHEMBL9503397 0.69 SMN1; SMN2 (0.43) KDM4EMAPTSLC22A2SLC22A1PGR

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