SCHEMBL6683560

SCHEMBL6683560

Cc1cc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)cc(-c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.46
TCF7L2 Q9NQB0 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CNR1 P21554 1/20 0.43
CYP3A4 P08684 1/20 0.42
PTGFR P43088 1/20 0.42
SMO Q99835 1/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MCHR1 Q99705 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL6498735 0.84 RAB9A (0.46) CTNNB1TCF7L2IRAK4RAB9ANPC1
SCHEMBL6681168 0.83 RAB9A (0.46) CTNNB1TCF7L2IRAK4RAB9ANPC1
SCHEMBL6682890 0.82 SYK (0.46) RAB9ANPC1SMN1; SMN2SMOSYK
SCHEMBL7083706 0.82 RAB9A (0.46) CTNNB1TCF7L2IRAK4RAB9ANPC1
SCHEMBL6498069 0.81 HDAC7 (0.49) CTNNB1TCF7L2RAB9ANPC1MAPT
SCHEMBL6492508 0.81 SMN1; SMN2 (0.52) CTNNB1TCF7L2RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL7079728 0.80 SMN1; SMN2 (0.51) CTNNB1TCF7L2RAB9ANPC1MAPT
SCHEMBL6796673 0.80 HTT (0.59) RAB9ANPC1MAPTCNR1SMO
SCHEMBL7080851 0.80 SMO (0.49) RAB9ANPC1MAPTSMN1; SMN2TAS1R3
SCHEMBL7086601 0.79 SMN1; SMN2 (0.53) CTNNB1TCF7L2IRAK4RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP claimed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO claimed