SCHEMBL14970458

SCHEMBL14970458

c1ccc(-c2ccccc2OCCN2CCCCCC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.86
SMN1; SMN2 Q16637 2/20 0.86
ALDH1A1 P00352 7/20 0.75
KMT2A Q03164 5/20 0.75
MEN1 O00255 3/20 0.75
PKM P14618 1/20 0.75
LMNA P02545 4/20 0.74
HTT P42858 2/20 0.74
POLB P06746 2/20 0.73
TP53 P04637 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.72
TSHR P16473 1/20 0.63
HRH1 P35367 2/20 0.61
DRD2 P14416 1/20 0.61
DRD1 P21728 1/20 0.61
DRD4 P21917 1/20 0.61
DRD5 P21918 1/20 0.61
DRD3 P35462 1/20 0.61
LTA4H P09960 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL7012697 0.98 KDM4E (0.84) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14970455 0.91 KDM4E (0.88) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11020028 0.89 ALDH1A1 (0.85) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL28311408 0.85 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL20360543 0.84 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL21616844 0.84 KDM4E (0.67) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14970717 0.84 KDM4E (0.88) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL9241445 0.82 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7962009 0.81 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL10673959 0.80 ALDH1A1 (0.69) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1

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-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed