SCHEMBL807935

SCHEMBL807935

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
EPHX2 P34913 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 0.36
TUBA3E Q6PEY2 4/20 0.36
TUBA1A Q71U36 4/20 0.36
TUBA1C Q9BQE3 4/20 0.36
TUBB6 Q9BUF5 4/20 0.36
TUBB2B Q9BVA1 4/20 0.36

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
SCHEMBL807956 0.86 PRCP (0.35) ALDH1A1EPHX2TUBB4ATUBBTUBA3C
SCHEMBL10286916 0.86 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1EPHX2LMNATSHR
SCHEMBL808223 0.84 LMNA (0.43) SMN1; SMN2ALDH1A1LMNATSHRTUBB4A
SCHEMBL10286918 0.84 GAA (0.39) SMN1; SMN2ALDH1A1EPHX2LMNATSHR
SCHEMBL808048 0.84 LMNA (0.36) SMN1; SMN2ALDH1A1EPHX2LMNATSHR
SCHEMBL808022 0.79 LMNA (0.35) SMN1; SMN2ALDH1A1LMNATSHRCYP2C9
SCHEMBL808032 0.77 DHFR (0.34)
SCHEMBL808024 0.73 TSHR (0.37) SMN1; SMN2LMNATSHRMAPT
SCHEMBL807920 0.72 SIGMAR1 (0.33)
SCHEMBL808232 0.71 CNR2 (0.32)

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