SCHEMBL5605328

SCHEMBL5605328

ON=C1CCCCC1Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
PDE4D Q08499 1/20 0.37
GAA P10253 2/20 0.37
DPP7 Q9UHL4 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HRH3 Q9Y5N1 2/20 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
SCHEMBL5594233 0.78 KDM4E (0.44) KDM4EHPGDRECQLKMT2AMEN1
SCHEMBL11640859 0.77 KDM4E (0.44) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL8230399 0.77 KDM4E (0.44) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL11792482 0.76 KDM4E (0.43) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL11792486 0.76 KDM4E (0.43) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL9674355 0.72 DDB1 (0.41) KDM4EALDH1A1KMT2A
SCHEMBL8230121 0.70 TRPA1 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9584595 0.70 ESR1 (0.43) KDM4EALDH1A1NPC1RAB9ATSHR
SCHEMBL9584588 0.70 ESR1 (0.43) KDM4EALDH1A1NPC1RAB9ATSHR
SCHEMBL8911524 0.70 HPGD (0.55) KDM4EALDH1A1HPGDRECQLKMT2A

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
WO-2007072089-A1 MGLUR5 ANTAGONISTIC CARBAMOYL-OXIME DERIVATIVES RICHTER GEDEON VEGYÉSZETU GYÁR RT. (HU) 2007-06-28 WO disclosed