SCHEMBL10053610

SCHEMBL10053610

C=C(c1ccc(-c2ccccc2)cc1)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)cc(C2(c3cc(C(=C)c4ccc(-c5ccccc5)cc4)cc(C(=O)c4ccc(-c5ccccc5)cc4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 2/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL13649845 1.00 PDK2 (0.40) PDK2MEN1KMT2AMAPTLMNA
SCHEMBL12864302 0.92 PDK2 (0.46) PDK2MEN1KMT2AMAPTLMNA
SCHEMBL2606090 0.88 PDK2 (0.33) PDK2MEN1KMT2AMAPTLMNA
SCHEMBL2606066 0.88 PDK2 (0.41) PDK2ATMTDP1THRBL3MBTL1
SCHEMBL2606070 0.84 SRD5A2 (0.41) PDK2MEN1KMT2ALMNARAB9A
SCHEMBL2606064 0.84 PDK2 (0.44) PDK2MEN1KMT2AMAPTLMNA
SCHEMBL1167840 0.83 TDP1 (0.52) PDK2MEN1KMT2AMAPTLMNA
SCHEMBL13351678 0.83 RAB9A (0.53) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL2606061 0.82 PDK2 (0.45) PDK2MEN1KMT2AMAPTLMNA
SCHEMBL2605937 0.82 CHRM5 (0.37) PDK2MEN1KMT2AMAPTLMNA

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-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
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