SCHEMBL20650770

SCHEMBL20650770

CC(C)c1cccc2c1oc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
STAT3 P40763 1/20 0.31
PTPRS Q13332 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 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
SCHEMBL21021474 0.87 KMT2A (0.34) KMT2ALMNASMN1; SMN2MEN1PTPN2
SCHEMBL20650294 0.86 S1PR1 (0.35) KMT2ALMNASMN1; SMN2MEN1PTPN2
SCHEMBL20650352 0.84 GABRP (0.33) KMT2ALMNASMN1; SMN2
SCHEMBL20650253 0.83 KMT2A (0.35) KMT2ALMNASMN1; SMN2MEN1PTPN2
SCHEMBL20650160 0.82 TNKS (0.35)
SCHEMBL20650803 0.81 KDM1A (0.33) LMNA
SCHEMBL20650807 0.81 CEL (0.33)
SCHEMBL20650706 0.81 USP1 (0.35) KMT2ALMNASMN1; SMN2STAT3
SCHEMBL20650433 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20650768 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