SCHEMBL8022790

SCHEMBL8022790

N#CC1=C(Nc2ccccc2F)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FGFR1 P11362 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK10 P53779 1/20 0.34
POLB P06746 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
SCHEMBL8019313 0.81 MAPT (0.48) LMNAMAPTSMN1; SMN2TP53RAB9A
SCHEMBL8022779 0.81 MAPT (0.50) LMNAMAPTRAB9ANPC1MEN1
SCHEMBL8015787 0.75 LMNA (0.48) LMNAMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8017798 0.73 MAPT (0.71) LMNAMAPTSMN1; SMN2TP53RAB9A
SCHEMBL8006281 0.73 MAPT (0.60) LMNAMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8019573 0.72 MAPT (0.55) LMNAMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8015744 0.70 MAPT (0.66) LMNAMAPTRAB9ANPC1MEN1
SCHEMBL8015461 0.70 LMNA (0.57) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL8019487 0.69 MAPT (0.48) LMNAMAPTSMN1; SMN2TP53RAB9A
SCHEMBL8018788 0.69 MAPT (0.48) LMNAMAPTSMN1; SMN2RAB9ANPC1

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