SCHEMBL8892745

SCHEMBL8892745

COCC(CCCCCN)Nc1nc(N)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.45
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
PKM P14618 4/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.41
NPY1R P25929 1/20 0.41
NPY5R Q15761 1/20 0.41
TLR8 Q9NR97 4/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 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
SCHEMBL8892739 0.86 APP (0.42) APPNPC1RAB9APKMNFKB1
SCHEMBL8893524 0.72 NPY5R (0.70) APPNPC1RAB9APKMNFKB1
SCHEMBL6039582 0.72 NPY5R (0.70) APPNPC1RAB9APKMNFKB1
SCHEMBL8892545 0.72 NPY5R (0.70) APPNPC1RAB9APKMNFKB1
Hydrochloric Acid SCHEMBL8892586 0.71 NPY5R (0.68) APPNPC1RAB9APKMNFKB1
SCHEMBL8890992 0.70 APP (0.48) APPNPC1RAB9APKMNFKB1
SCHEMBL30493656 0.68 APP (0.55) APPNPC1RAB9APKMNFKB1
SCHEMBL1622734 0.67 NPC1 (0.59) APPNPC1RAB9APKMNFKB1
SCHEMBL8891182 0.66 APP (0.63) APPNPC1RAB9APKMNFKB1
SCHEMBL3815465 0.65 TLR7 (0.49) TLR8LMNAPOLB

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
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO disclosed