SCHEMBL8019573

SCHEMBL8019573

N#CC1=C(Nc2cccc(F)c2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.40
RAF1 P04049 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GRM5 P41594 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8015461 0.84 LMNA (0.57) MAPTLMNAMAPK1HTTNPC1
SCHEMBL5682845 0.82 MAPT (0.55) MAPTLMNAKDM4EKMT2ANPC1
SCHEMBL8017798 0.81 MAPT (0.71) MAPTLMNAMAPK1RAF1HTT
SCHEMBL8006281 0.80 MAPT (0.60) MAPTLMNAKDM4EMAPK1RAF1
SCHEMBL8015744 0.78 MAPT (0.66) MAPTLMNAMAPK1HTTKMT2A
SCHEMBL8019313 0.76 MAPT (0.48) MAPTLMNAKDM4EMAPK1HTT
SCHEMBL8022790 0.72 LMNA (0.50) MAPTLMNAKDM4EMAPK1HTT
SCHEMBL8006080 0.71 LMNA (0.57) MAPTLMNAMAPK1HTTNPC1
SCHEMBL8017392 0.71 MAPT (0.71) MAPTLMNAMAPK1HTTNPC1
SCHEMBL8017383 0.71 MAPT (0.71) MAPTLMNAKDM4EMAPK1HTT

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-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed
EP-0877735-A1 POLYCYCLIC COMPOUNDS University of Strathclyde (GB) 1998-11-18 EP disclosed
WO-1997019929-A1 POLYCYCLIC COMPOUNDS THE UNIVERSITY OF STRATHCLYDE (GB) 1997-06-05 WO disclosed