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SCHEMBL16613555

SCHEMBL16613555

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4sccc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.34
▸ VCP P55072 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ NQO2 P16083 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAPK3 P27361 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL16613713 0.94 DHODH (0.36) DHODHVCPADORA2A
SCHEMBL16613469 0.93 VCP (0.36) DHODHVCPADORA2ANQO2
SCHEMBL16613533 0.89 DHODH (0.40) DHODHVCPADORA2ACYP1A2
SCHEMBL16613626 0.89 SIRT2 (0.32) DHODHVCP
SCHEMBL16613554 0.89 VCP (0.31) VCP
SCHEMBL16613714 0.87 VCP (0.34) DHODHVCPADORA2A
SCHEMBL16613628 0.87 ADORA2A (0.41) DHODHVCPADORA2A
SCHEMBL16613702 0.84 VCP (0.32) VCP
SCHEMBL16613625 0.84 VCP (0.34) VCP
SCHEMBL16613534 0.83 DHODH (0.39) DHODHVCPADORA2ACYP1A2

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