SCHEMBL14436652

SCHEMBL14436652

COc1ccc(N(c2ccccc2)c2ccc(C=Cc3cc(C#N)c(C=Cc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc3C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 5/20 0.50
TRPA1 O75762 1/20 0.47
NFE2L2 Q16236 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1B1 Q16678 3/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
TUBB1 Q9H4B7 3/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40

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
SCHEMBL830304 0.95 TRPA1 (0.51) RELATRPA1NFE2L2KDM4EALDH1A1
SCHEMBL18327869 0.95 TRPA1 (0.51) RELATRPA1NFE2L2KDM4EALDH1A1
SCHEMBL14436657 0.91 APP (0.44) RELANFE2L2KDM4EALDH1A1HPGD
SCHEMBL14436656 0.91 APP (0.44) RELANFE2L2KDM4EALDH1A1HPGD
SCHEMBL14436653 0.90 NFE2L2 (0.49) RELATRPA1NFE2L2KDM4ELMNA
SCHEMBL13599895 0.90 NFE2L2 (0.49) RELATRPA1NFE2L2KDM4ELMNA
SCHEMBL14437326 0.86 APP (0.41) RELANFE2L2KDM4EALDH1A1HPGD
SCHEMBL16489743 0.86 RELA (0.68) RELATRPA1NFE2L2KDM4EHPGD
SCHEMBL14436658 0.86 NFE2L2 (0.41) RELANFE2L2KDM4EALDH1A1TUBB1
SCHEMBL22017427 0.86 NFE2L2 (0.41) RELANFE2L2KDM4EALDH1A1TUBB1

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
US-7255935-B2 Organic electroluminescent element and luminescent apparatus employing the same SONY CORPORATION (JP) 2007-08-14 US disclosed