SCHEMBL18697121

SCHEMBL18697121

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5cccc6c5C(C)(C)c5cc(Nc7ccc8c(c7)C(C)(C)c7cc(-c9ccccc9)ccc7-8)ccc5-6)c(-c5ccccc5)c4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.41
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GALK1 P51570 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMAD3 P84022 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EGFR P00533 1/20 0.32

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
SCHEMBL16366420 0.90 PDK2 (0.49) PDK2
SCHEMBL17777754 0.89 PDK2 (0.45) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL9916960 0.89 PDK2 (0.48) PDK2MEN1APAF1NPC1LMNA
SCHEMBL9916961 0.89 PDK2 (0.47) PDK2MEN1APAF1NPC1LMNA
SCHEMBL31245655 0.88 PDK2 (0.40) PDK2MEN1MAPTKMT2A
SCHEMBL24969712 0.88 PDK2 (0.42) PDK2
SCHEMBL22182374 0.87 PDK2 (0.47) PDK2MEN1MAPTKMT2ANPSR1
SCHEMBL13367405 0.87 PDK2 (0.48) PDK2
SCHEMBL9916953 0.87 PDK2 (0.48) PDK2MEN1APAF1NPC1LMNA
SCHEMBL9916947 0.87 PDK2 (0.51) PDK2MEN1APAF1NPC1LMNA

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-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 — — US disclosed
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