SCHEMBL16613532

SCHEMBL16613532

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3sccc23)c(-c2cccc3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
ALDH1A1 P00352 3/20 0.32
DUSP3 P51452 1/20 0.31

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
SCHEMBL16613530 0.95 VCP (0.37) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613715 0.91 VCP (0.33) VCP
SCHEMBL16613656 0.88 VCP (0.35) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613565 0.88 KDM4E (0.35) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613531 0.86 ADORA2A (0.39) VCPALDH1A1CYP2D6CYP2C19MAPT
SCHEMBL16613625 0.86 VCP (0.34) VCPALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16613459 0.86 TUBB4A (0.34) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613488 0.83 KDM4E (0.40) VCPALDH1A1DUSP3CYP2D6CYP2C19
SCHEMBL16613564 0.83 KDM4E (0.36) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613457 0.82 VCP (0.32) VCP

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed