SCHEMBL3768702

SCHEMBL3768702

c1cc(NC2CCCC2)cc(NC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
APAF1 O14727 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
IP6K1 Q92551 1/20 0.41
NPC1 O15118 4/20 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
SCHEMBL3427795 0.98 KDM4E (0.49) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL15928723 0.87 KDM4E (0.48) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL7050567 0.87 MAPT (0.57) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29922322 0.86 KDM4E (0.50) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL21799663 0.86 KDM4E (0.50) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL11526598 0.86 SMN1; SMN2 (0.59) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL7793289 0.86 TDP1 (0.49) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL126258 0.86 CYP3A4 (0.47) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL265559 0.86 KDM4E (0.62) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL7793295 0.86 LMNA (0.58) MEN1KMT2AMAPTALDH1A1MAPK1

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-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed