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SCHEMBL6860685

SCHEMBL6860685

c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)ccc5-c5c(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)cc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)cc53)c3cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c3-4)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GALK1 P51570 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMAD3 P84022 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX5 P09917 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
SCHEMBL6860903 0.94 PDK2 (0.34) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5846650 0.89 MEN1 (0.40) PDK2MEN1APAF1NPC1LMNA
SCHEMBL6860915 0.89 MEN1 (0.40) PDK2MEN1APAF1NPC1LMNA
SCHEMBL6861119 0.89 MEN1 (0.40) PDK2MEN1APAF1NPC1LMNA
SCHEMBL6861428 0.86 PDK2 (0.41) PDK2LMNAMAPTHTTALOX5
SCHEMBL6854461 0.81 MEN1 (0.42) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5847170 0.80 PDK2 (0.42) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5846572 0.75 PDK2 (0.47) PDK2MEN1APAF1NPC1LMNA
SCHEMBL6863550 0.73 PDK2 (0.46) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5847178 0.73 PDK2 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 — — US claimed
US-20040002052-A1 Systems and methods for rapid evaluation and design of molecules for predicted biological activity PHARMACOGENETICS DEVELOPMENT COMPANY, INC. 2004-01-01 — — US disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 — — US disclosed