SCHEMBL17875496

SCHEMBL17875496

Cc1ccc(-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)nc3c2cc(-c2ccc4c(c2)C(C)(C)c2ccccc2-4)c2ccccc23)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
PDK2 Q15119 4/20 0.36
KDM4E B2RXH2 6/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 3/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
HTR7 P34969 1/20 0.32
ACACA Q13085 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL17875542 0.91 PDK2 (0.41) PDK2POLBALDH1A1ACACA
SCHEMBL17875526 0.88 PDK2 (0.41) NPC1PDK2KDM4EMAPTLMNA
SCHEMBL17875437 0.88 PDK2 (0.40) NPC1PDK2KDM4EMAPTLMNA
SCHEMBL13084032 0.85 ACACA (0.38) PDK2KDM4EMAPTLMNAALDH1A1
SCHEMBL13084074 0.85 PDK2 (0.43) PDK2KDM4EMAPTLMNAALDH1A1
SCHEMBL13643148 0.85 ACACA (0.38) PDK2KDM4EMAPTLMNAALDH1A1
SCHEMBL13642827 0.85 PDK2 (0.43) PDK2KDM4EMAPTLMNAALDH1A1
SCHEMBL13643145 0.84 MEN1 (0.39) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL13642840 0.84 ACACA (0.38) PDK2KDM4EMAPTLMNAALDH1A1
SCHEMBL13084052 0.84 ACACA (0.38) PDK2KDM4EMAPTLMNAALDH1A1

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-2508585-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2016-06-29 EP disclosed