SCHEMBL29834871

SCHEMBL29834871

O=C(NCN1CCNCC1)c1cnccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.64
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 3/20 0.59
TAAR1 Q96RJ0 1/20 0.59
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL26922349 1.00 GFER (0.64) GFERALDH1A1KDM4ETAAR1GAA
SCHEMBL26922711 0.86 KDM4E (0.67) GFERALDH1A1KDM4ETAAR1GAA
SCHEMBL29834783 0.86 GFER (0.67) GFERALDH1A1KDM4ETAAR1SMN1; SMN2
SCHEMBL26921832 0.86 GFER (0.67) GFERALDH1A1KDM4ETAAR1SMN1; SMN2
SCHEMBL29834840 0.84 DRD2 (0.59) GFERKDM4EGAAHSD17B10L3MBTL1
SCHEMBL26922301 0.84 DRD2 (0.59) GFERKDM4EGAAHSD17B10L3MBTL1
Morinamide SCHEMBL563960 0.83 GFER (0.67) GFERALDH1A1KDM4ETAAR1L3MBTL1
Morinamide SCHEMBL29464523 0.83 GFER (0.67) GFERALDH1A1KDM4ETAAR1L3MBTL1
SCHEMBL26922276 0.83 GFER (0.64) GFERALDH1A1KDM4ETAAR1SMN1; SMN2
Morinamide SCHEMBL1650433 0.82 GFER (0.66) GFERALDH1A1KDM4ETAAR1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 EP disclosed
WO-2022169922-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-08-11 WO disclosed