SCHEMBL5722124

SCHEMBL5722124

OB(O)c1ccc2cc3ccccc3cc2c1-c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MPI P34949 1/20 0.39
GPR84 Q9NQS5 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX5 P09917 1/20 0.35
SOS1 Q07889 1/20 0.35
RECQL P46063 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL28501965 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDGPR84
SCHEMBL28395769 0.80 CA1 (0.43) ALDH1A1GPR84CA1CA2ALOX5
SCHEMBL31544310 0.79 ESR1 (0.37) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27886384 0.76 GPR84 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11971420 0.76 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30442333 0.75 CA1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
Boric Acid SCHEMBL28269274 0.75 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL728977 0.75 CA1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28558636 0.74 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7900209 0.74 ESR1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT

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-1734038-A1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-12-20 EP disclosed