SCHEMBL17039578

SCHEMBL17039578

c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)n4ccccc34)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38
▸ TUBB2B Q9BVA1 1/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 2/20 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
SCHEMBL17039373 0.94 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039406 0.90 ALDH1A1 (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039372 0.89 ENPP3 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039377 0.87 RAD51 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039385 0.86 KDM4E (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039390 0.85 HIF1A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039376 0.84 HPGD (0.38) ALDH1A1MAPTHPGDSMN1; SMN2HIF1A
SCHEMBL17039529 0.82 KDM4E (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039584 0.81 DUSP3 (0.33) DUSP3KDM4EATML3MBTL1
SCHEMBL17039381 0.80 PRKDC (0.39) MAPTHIF1AEPAS1DUSP3

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-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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