SCHEMBL5409059

SCHEMBL5409059

Cn1nc(-c2ccccc2)c2cc(Cl)c(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KHK P50053 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 2/20 0.41
SCN9A Q15858 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAP2 P11137 1/20 0.39
BRD4 O60885 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL4031900 0.86 ESR1 (0.43) L3MBTL1SCN9A
SCHEMBL4029614 0.81 ESR1 (0.39) L3MBTL1SCN9A
SCHEMBL4031930 0.80 SCN9A (0.45) L3MBTL1SCN9A
SCHEMBL5404922 0.79 ALDH1A1 (0.51) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11888544 0.77 PTGER1 (0.49) L3MBTL1KHKKDM4EALDH1A1SCN9A
SCHEMBL4034001 0.77 L3MBTL1 (0.59) L3MBTL1KHKKDM4EALDH1A1TDP1
SCHEMBL11688645 0.76 L3MBTL1 (0.55) L3MBTL1KHKKDM4EALDH1A1RECQL
SCHEMBL13106278 0.74 ADORA2A (0.60) MAPTADORA2A
SCHEMBL17306877 0.73 L3MBTL1 (0.51) L3MBTL1KHKKDM4EALDH1A1SCN9A
SCHEMBL822675 0.72 L3MBTL1 (0.56) L3MBTL1KHKKDM4EALDH1A1RECQL

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-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed