SCHEMBL16613307

SCHEMBL16613307

c1cc(-c2ccc3ccccc3c2)cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3ccoc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
HTR2B P41595 1/20 0.31
HTR5A P47898 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
SCHEMBL16613376 0.90 PIK3CD (0.32) PIK3CDPIK3CAALDH1A1SMN1; SMN2NPC1
SCHEMBL16613398 0.89 PIK3CD (0.34) PIK3CDPIK3CAALDH1A1LMNAMAPT
SCHEMBL16613306 0.89 ALDH1A1 (0.35) PIK3CDPIK3CAALDH1A1NPC1LMNA
SCHEMBL16613305 0.88 HPGD (0.36) PIK3CDPIK3CAALDH1A1NPC1LMNA
SCHEMBL16613386 0.85 TUBB4A (0.32) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613374 0.83 PIK3CD (0.31) PIK3CDPIK3CAALDH1A1SMN1; SMN2MAPT
SCHEMBL16613743 0.83 PIK3CA (0.38) PIK3CDPIK3CAALDH1A1NPC1LMNA
SCHEMBL16613375 0.82 KDM4E (0.32) PIK3CDPIK3CAALDH1A1SMN1; SMN2LMNA
SCHEMBL16613362 0.82 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16613389 0.81 PIK3CD (0.30) PIK3CDPIK3CARORC

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