SCHEMBL16613530

SCHEMBL16613530

c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)nc4sccc34)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16613532 0.95 VCP (0.36) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613625 0.91 VCP (0.34) VCPALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16613656 0.90 VCP (0.35) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613459 0.88 TUBB4A (0.34) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613564 0.87 KDM4E (0.36) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613715 0.86 VCP (0.33) VCP
SCHEMBL16613531 0.86 ADORA2A (0.39) VCPALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16613488 0.85 KDM4E (0.40) VCPALDH1A1HPGDDUSP3CYP2D6
SCHEMBL16613565 0.83 KDM4E (0.35) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613576 0.83 PRKDC (0.36) VCPMAPTHTT

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