SCHEMBL807956

SCHEMBL807956

C=C(/N=C(N)\N=C(/N)c1noc(C2CCN(CC(C)C)CC2)n1)N(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.35
CHRM4 P08173 1/20 0.35
SLC18A3 Q16572 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32
TUBB2B Q9BVA1 2/20 0.32
TUBB1 Q9H4B7 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL808048 0.87 LMNA (0.36) PRCPCHRM4TUBB4ATUBBTUBA3C
SCHEMBL807935 0.86 SMN1; SMN2 (0.41) CHRM4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10286916 0.86 ALDH1A1 (0.38) PRCPCHRM4EPHX2GABRA1GABRA3
SCHEMBL808223 0.85 LMNA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10286918 0.84 GAA (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10286920 0.81 SMN1; SMN2 (0.41) SMOMEN1GAAMAPTKMT2A
SCHEMBL808022 0.80 LMNA (0.35) MEN1ALDH1A1GAAMAPTCYP2C9
SCHEMBL808032 0.78 DHFR (0.34) SLC18A3
SCHEMBL807920 0.75 SIGMAR1 (0.33)
SCHEMBL808024 0.74 TSHR (0.37) MAPT

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed