SCHEMBL22072785

SCHEMBL22072785

Nc1ccc2c(c1)C1=C(C=CCC1)C2(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PDK2 Q15119 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL20861015 0.89 KDM4E (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL20734798 0.78 SMN1; SMN2 (0.41) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL22783105 0.78 KDM4E (0.37) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL20245386 0.77 — —
SCHEMBL13662322 0.76 GABRA1 (0.30) —
SCHEMBL24064059 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19789062 0.74 KDM4E (0.33) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23097297 0.73 PDK2 (0.36) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL19225122 0.72 KDM4E (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL16372107 0.71 KMT2A (0.35) KDM4EMAPTMEN1KMT2ALMNA

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-3663308-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-06-10 — — EP disclosed
Send feedback