SCHEMBL8006281

SCHEMBL8006281

N#CC1=C(Nc2ccc(F)c(F)c2)CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
IDO1 P14902 2/20 0.36
SOS1 Q07889 1/20 0.36
POLB P06746 2/20 0.36
BUB1 O43683 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL8017798 0.82 MAPT (0.71) MAPTLMNAHPGDMAPK1HTT
SCHEMBL8015461 0.79 LMNA (0.57) MAPTLMNAMAPK1HTTRAPGEF4
SCHEMBL8017383 0.79 MAPT (0.71) MAPTLMNAMAPK1HTTSMN1; SMN2
SCHEMBL8015744 0.79 MAPT (0.66) MAPTLMNAHPGDMAPK1HTT
SCHEMBL5682845 0.77 MAPT (0.55) MAPTLMNAHPGDSMN1; SMN2EGFR
SCHEMBL8019313 0.74 MAPT (0.48) MAPTLMNAHPGDMAPK1HTT
SCHEMBL8022790 0.73 LMNA (0.50) MAPTLMNAHPGDMAPK1HTT
SCHEMBL8006080 0.72 LMNA (0.57) MAPTLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2119807 0.69 SOS1 (0.61) MAPTHPGDRAPGEF4IDO1SOS1
SCHEMBL8019487 0.65 MAPT (0.48) MAPTLMNAMAPK1HTTSMN1; SMN2

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
US-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed