SCHEMBL15380425

SCHEMBL15380425

BrCCCCOc1ccccc1OCCCCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 7/20 0.48
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.48
JAK2 O60674 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KCNA3 P22001 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL17911627 0.92 KDM4E (0.52) KDM4EL3MBTL1TDP1MAPTLMNA
SCHEMBL29755650 0.92 KDM4E (0.52) KDM4EL3MBTL1TDP1MAPTLMNA
SCHEMBL3070239 0.89 L3MBTL1 (0.65) L3MBTL1TDP1MAPTLMNAALDH1A1
SCHEMBL7904297 0.88 ALDH1A1 (0.50) KDM4EL3MBTL1TDP1MAPTLMNA
SCHEMBL7820909 0.88 ALDH1A1 (0.65) L3MBTL1TDP1MAPTLMNAALDH1A1
SCHEMBL10367492 0.87 HTR7 (0.56) KDM4EL3MBTL1TDP1MAPTLMNA
SCHEMBL11727531 0.86 KCNA3 (0.48) KDM4EL3MBTL1TDP1ALDH1A1KCNA3
SCHEMBL24838711 0.85 L3MBTL1 (0.38) KDM4EL3MBTL1TDP1MAPTLMNA
SCHEMBL1772752 0.85 ALDH1A1 (0.54) KDM4EL3MBTL1TDP1MAPTLMNA
SCHEMBL30178764 0.85 L3MBTL1 (0.38) KDM4EL3MBTL1TDP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716229-B2 Polymer networks UNIVERSITY OF HULL (GB) 2017-07-25 US disclosed
EP-2665795-B1 POLYMER NETWORKS UNIV HULL (GB) 2016-05-25 EP disclosed
US-20130299805-A1 POLYMER NETWORKS UNIVERSITY OF HULL (GB) 2013-11-14 US disclosed