SCHEMBL14079459

SCHEMBL14079459

Cc1ccc2c(C#N)c3cc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3c(C#N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
RELA Q04206 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFE2L2 Q16236 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL12310026 0.99 APP (0.38) APPRELAALDH1A1HPGDALOX12
SCHEMBL14569509 0.96 APP (0.39) APPRELAALDH1A1HPGDALOX12
SCHEMBL10075344 0.95 APP (0.38) APPRELAALDH1A1HPGDALOX12
SCHEMBL10022924 0.95 APP (0.38) APPRELAALDH1A1HPGDALOX12
SCHEMBL10074381 0.95 APP (0.41) APPRELAALDH1A1HPGDALOX12
SCHEMBL10075346 0.94 APP (0.38) APPRELAALDH1A1HPGDALOX12
SCHEMBL14569512 0.92 APP (0.40) APPRELAALDH1A1HPGDALOX12
SCHEMBL14569483 0.91 NFE2L2 (0.39) APPRELALMNANFE2L2KDM4E
SCHEMBL12091217 0.89 APP (0.35) APPRELAALDH1A1HPGDALOX12
SCHEMBL12309960 0.89 ALDH1A1 (0.33) APPRELAALDH1A1HPGDALOX12

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
EP-1072669-B1 Organic electroluminescent device SONY CORP (JP) 2008-09-03 EP disclosed