SCHEMBL6414746

SCHEMBL6414746

[CH2]CCCCCCCCCCCn1cccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TBXAS1 P24557 2/20 0.36
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
HTT P42858 5/20 0.33
LMNA P02545 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
PAX8 Q06710 1/20 0.33
NR2F2 P24468 1/20 0.33

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
SCHEMBL7039410 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL27593365 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL8329170 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL5616893 0.97 TP53 (0.39) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL269446 0.89
SCHEMBL27458343 0.86 TP53 (0.46) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL20465806 0.83 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL72436 0.77
SCHEMBL691481 0.76 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL562381 0.74 NPC1 (0.57) TBXAS1NPC1RAB9AHTTLMNA

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-20050148043-A1 Biosensor for purines UNIVERSITY OF WARWICK (GB) 2005-07-07 US disclosed
EP-1490674-A1 BIOSENSOR FOR PURINES University of Warwick (GB) 2004-12-29 EP disclosed
WO-2003087801-A1 BIOSENSOR FOR PURINES UNIVERSITY OF WARWICK (GB) 2003-10-23 WO disclosed