SCHEMBL21763101

SCHEMBL21763101

NN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDK2 Q15119 3/20 0.40
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ KIF11 P52732 1/20 0.32
▸ CFTR P13569 1/20 0.30
▸ GOPC Q9HD26 1/20 0.30

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
SCHEMBL21787836 0.97 MEN1 (0.49) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21787756 0.95 MEN1 (0.47) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763102 0.93 MEN1 (0.42) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763100 0.92 PDK2 (0.42) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763412 0.88 MEN1 (0.41) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21787899 0.88 PDE4D (0.40) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21788107 0.87 PDK2 (0.41) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763099 0.84 PDK2 (0.41) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL15213745 0.84 MEN1 (0.44) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL16996106 0.84 MEN1 (0.44) MEN1KMT2ALMNAKDM4EMAPT

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-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 — — EP disclosed
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