SCHEMBL9957074

SCHEMBL9957074

c1ccc(C2(c3ccc(-c4cc[nH]n4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ AKT2 P31751 1/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL9956850 0.81 PDK2 (0.38) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL18978407 0.76 MEN1 (0.61) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL14122566 0.76 MEN1 (0.71) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL30516188 0.76 MEN1 (0.71) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL15218714 0.75 SMN1; SMN2 (0.47) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL5351775 0.74 MEN1 (0.63) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL16800868 0.74 CYP1A2 (0.45) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL9438 0.74 CYP1A2 (0.48) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL129053 0.74 MEN1 (0.67) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL29392072 0.74 MEN1 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665735-A1 PREPARATION OF A FAC-ISOMER FOR A TRIS HOMOLEPTIC METAL COMPLEX SOLVAY SA (BE) 2013-11-27 — — EP disclosed
WO-2012084219-A1 PREPARATION OF A FAC-ISOMER FOR A TRIS HOMOLEPTIC METAL COMPLEX SOLVAY SA (BE) 2012-06-28 — — WO disclosed
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