SCHEMBL20650294

SCHEMBL20650294

Cc1cccc2c1oc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
STAT3 P40763 1/20 0.31
PTPRS Q13332 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL21019980 0.87 KMT2A (0.36) S1PR1S1PR5KMT2ALMNASMN1; SMN2
SCHEMBL20650770 0.86 KMT2A (0.32) KMT2ALMNASMN1; SMN2MEN1PTPN2
SCHEMBL20650352 0.86 GABRP (0.33) KMT2ALMNASMN1; SMN2
SCHEMBL20650253 0.85 KMT2A (0.35) KMT2ALMNASMN1; SMN2MEN1PTPN2
SCHEMBL20650706 0.83 USP1 (0.35) KMT2ALMNASMN1; SMN2STAT3
SCHEMBL23967790 0.81 CEL (0.33)
SCHEMBL16216626 0.79 S1PR1 (0.33) S1PR1S1PR5
SCHEMBL20650419 0.79 MCL1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL20649620 0.79 S1PR1 (0.33) S1PR1S1PR5KMT2ALMNASMN1; SMN2
SCHEMBL20650300 0.78 MCL1 (0.34) KMT2AMEN1

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