SCHEMBL5827554

SCHEMBL5827554

CCN(CC)c1cccc(OCc2ccc(C(=[N+]=[N-])c3ccccc3)cc2)c1.COc1ccc(OCc2ccc(C(=[N+]=[N-])c3ccccc3)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 2/20 0.39
SMPD1 P17405 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
RXRA P19793 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL3227770 0.91 MAOB (0.45) SMN1; SMN2MAOBNOX1RXRAKMT2A
SCHEMBL3221879 0.88 ATM (0.50) TDP1ATMNPC1HPGDRAB9A
Diethylamine SCHEMBL5827555 0.84 ALDH1A1 (0.47) TDP1ATMNPC1HPGDRAB9A
SCHEMBL3227881 0.77 SRD5A2 (0.61) ATMRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL10592238 0.75 BCHE (0.61) ALDH1A1MAOBNOX1APP
SCHEMBL3212278 0.73 ATM (0.72) TDP1ATMNPC1HPGDRAB9A
Diethylamine SCHEMBL3227780 0.71 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6715345 0.70 ALDH1A1 (0.46) TDP1ATMNPC1HPGDRAB9A
SCHEMBL11670600 0.69 MAOB (0.56) MRGPRX4RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1886413 0.69 TSHR (0.37) TDP1ALDH1A1LMNANOX1MEN1

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-7034129-B2 Process for surface functionalsation of polymeric substrates using diaryl carbenes as reactive intermediates ISIS INNOVATION LIMITED (GB) 2006-04-25 US disclosed
EP-1124791-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2001-08-22 EP disclosed
WO-2000026180-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2000-05-11 WO disclosed