SCHEMBL20650253

SCHEMBL20650253

CCc1cccc2c1oc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
PTPN2 P17706 2/20 0.33
PTPN1 P18031 2/20 0.33
STAT3 P40763 2/20 0.33
PTPRS Q13332 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CAMK2A Q9UQM7 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
SCHEMBL21021461 0.88 KMT2A (0.36) KMT2APTPN2PTPN1STAT3PTPRS
SCHEMBL20650294 0.85 S1PR1 (0.35) KMT2APTPN2PTPN1STAT3PTPRS
SCHEMBL20650770 0.83 KMT2A (0.32) KMT2APTPN2PTPN1STAT3PTPRS
SCHEMBL20650352 0.83 GABRP (0.33) KMT2ALMNASMN1; SMN2
SCHEMBL16216506 0.81 KMT2A (0.32) KMT2APTPN2PTPN1STAT3PTPRS
SCHEMBL20650718 0.81 ALOX5 (0.35) LMNASMN1; SMN2
SCHEMBL20650706 0.80 USP1 (0.35) KMT2ASTAT3LMNASMN1; SMN2
SCHEMBL20650835 0.80 KMT2A (0.33) KMT2APTPN2PTPN1STAT3PTPRS
SCHEMBL20650250 0.80 SLC11A2 (0.31) KMT2A
SCHEMBL20650330 0.79 CEL (0.34) KMT2ALMNASMN1; SMN2MEN1ALDH1A1

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-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed