SCHEMBL20650481

SCHEMBL20650481

CCc1ccccc1N(I)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
KIF11 P52732 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
SCHEMBL20649836 0.90 ALOX5 (0.33) ALOX5GABRA1GABRB2KIF11
SCHEMBL20650126 0.89 ESR1 (0.34) ALDH1A1LMNAKMT2A
SCHEMBL20650482 0.86 KIF11 (0.34) ALDH1A1KMT2AKIF11
SCHEMBL20172825 0.86 CYP1A2 (0.33) ALOX5ALDH1A1LMNAKMT2AGABRA1
SCHEMBL23967729 0.83 GABRA1 (0.36) KMT2AGABRA1GABRB2KIF11
SCHEMBL20650472 0.82 KIF11 (0.31) KMT2AKIF11
SCHEMBL20650720 0.82 NPC1 (0.35) ALOX5ALDH1A1LMNAGABRA1GABRB2
SCHEMBL20650740 0.81 ALOX5 (0.47) ALOX5ALDH1A1LMNAKMT2A
SCHEMBL20650462 0.81 KIF11 (0.33) KMT2AKIF11
SCHEMBL20650395 0.81

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-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed