SCHEMBL16488129

SCHEMBL16488129

COc1cc2nc(-c3cc(C)ccc3C)ccc2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.43
MAOA P21397 2/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AMY1A P0DUB6 1/20 0.38
SLC10A2 Q12908 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL13870946 0.89 MAOA (0.41) PSMB5MAOAPDE3BPDE3AAMY1A
SCHEMBL13870942 0.86 ALDH1A1 (0.36) PSMB5SLC10A2ALDH1A1LMNADHFR
SCHEMBL13870947 0.86 PSMB5 (0.44) PSMB5MAOAPDE3BPDE3AAMY1A
SCHEMBL16487822 0.83 KMT2A (0.38) ALDH1A1LMNADHFRMEN1KMT2A
SCHEMBL13870934 0.81 PDGFRB (0.43) ALDH1A1MEN1KMT2APOLBPDGFRB
SCHEMBL13870925 0.81 KDM4E (0.49) PDE3BPDE3AALDH1A1LMNADHFR
SCHEMBL13870945 0.80 RAD52 (0.41) PSMB5MAOAPDE3BPDE3AAMY1A
SCHEMBL13870944 0.80 KATNA1 (0.44) MAOAPDE3BPDE3ASLC10A2ALDH1A1
SCHEMBL13870932 0.79 MAOA (0.44) PSMB5MAOAPDE3BPDE3ASLC10A2
SCHEMBL13870933 0.78 ALDH1A1 (0.48) MAOAALDH1A1LMNAMEN1KMT2A

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-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed