SCHEMBL16613645

SCHEMBL16613645

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)nc4ccsc34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16613451 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL16613605 0.91 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL16613644 0.89 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL16613575 0.89 PTGER1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL16613681 0.88
SCHEMBL15596397 0.88 KDM4E (0.36) ALDH1A1
SCHEMBL16613600 0.86 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL16613545 0.86 ADORA2A (0.36)
SCHEMBL16613680 0.86 KDM4E (0.31) ALDH1A1
SCHEMBL16613480 0.85 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2

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