SCHEMBL6861119

SCHEMBL6861119

c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3c(c2)C2(c4cc(-c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)ccc4-c4c(-c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)cc(-c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)cc42)c2cc(-c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
SMAD3 P84022 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDK2 Q15119 7/20 0.36
RARB P10826 1/20 0.35

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
SCHEMBL6860915 1.00 MEN1 (0.40) MEN1APAF1NPC1LMNAMAPT
SCHEMBL5846650 1.00 MEN1 (0.40) MEN1APAF1NPC1LMNAMAPT
SCHEMBL6860903 0.89 PDK2 (0.34) MEN1APAF1NPC1LMNAMAPT
SCHEMBL6860685 0.89 PDK2 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL5847178 0.86 PDK2 (0.46) MEN1APAF1NPC1LMNAMAPT
SCHEMBL5846572 0.84 PDK2 (0.47) MEN1APAF1NPC1LMNAMAPT
SCHEMBL6854461 0.83 MEN1 (0.42) MEN1APAF1NPC1LMNAMAPT
SCHEMBL6861430 0.81 PDK2 (0.46) MEN1APAF1NPC1LMNAMAPT
SCHEMBL6863559 0.79 PDK2 (0.47) MEN1APAF1NPC1LMNAMAPT
SCHEMBL6863550 0.78 PDK2 (0.46) MEN1APAF1NPC1LMNAMAPT

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
EP-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 US disclosed