SCHEMBL16613656

SCHEMBL16613656

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5sccc45)cc3)cccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL16613702 0.91 VCP (0.32) VCPENPP3ENPP1CA12CA1
SCHEMBL16613459 0.91 TUBB4A (0.34) VCPCA12CA1CA2CA9
SCHEMBL16613530 0.90 VCP (0.37) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613591 0.90 KDM4E (0.35) VCPCA12CA1CA2CA9
SCHEMBL16613532 0.88 VCP (0.36) VCPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16613485 0.86 DHODH (0.41) VCPADORA2AALDH1A1DHODH
SCHEMBL16613484 0.86 ADORA2A (0.42) VCPADORA2AALDH1A1DHODH
SCHEMBL16613531 0.84 ADORA2A (0.39) VCPADORA2ACYP2C19ALDH1A1DHODH
SCHEMBL16613718 0.84 KDM4E (0.33) VCPDHODH
SCHEMBL16613420 0.83 VCP (0.31) 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