SCHEMBL19061776

SCHEMBL19061776

Nc1ccc2c(c1)C1(C3=C2C=CCC3)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PDK2 Q15119 3/20 0.40
▸ NPC1 O15118 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PTPRC P08575 2/20 0.31
▸ APAF1 O14727 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
SCHEMBL12992613 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL24862992 0.90 PDK2 (0.42) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL16491896 0.87 KMT2A (0.35) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL12992904 0.87 PDK2 (0.33) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL19147760 0.86 KDM4E (0.34) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL13698994 0.84 — —
SCHEMBL24248421 0.84 PDK2 (0.40) PDK2TDP1PTPRC
SCHEMBL19197750 0.84 PDK2 (0.40) PDK2TDP1PTPRC
SCHEMBL13066521 0.83 KDM4E (0.54) SMN1; SMN2KDM4EMAPTLMNAMEN1
SCHEMBL20198340 0.82 — —

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-3185330-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 — — EP disclosed
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