SCHEMBL23967908

SCHEMBL23967908

CN(c1ccc(C2CCCCC2)cc1)c1cccc2c1oc1c(S(C)(C)C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.37
PTPN1 P18031 3/20 0.37
STAT3 P40763 3/20 0.37
PTPRS Q13332 3/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL20650808 0.85 KMT2A (0.36) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21019980 0.85 KMT2A (0.36) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21020575 0.84 KMT2A (0.34) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21020567 0.84 KMT2A (0.35) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21021474 0.83 KMT2A (0.34) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21021031 0.83 KMT2A (0.34) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21982426 0.83 PTGS2 (0.33) KMT2ASMN1; SMN2MEN1
SCHEMBL20650246 0.82 KMT2A (0.41) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21021461 0.82 KMT2A (0.36) PTPN2PTPN1STAT3PTPRSKMT2A
SCHEMBL21020301 0.81 KMT2A (0.35) PTPN2PTPN1STAT3PTPRSKMT2A

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-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed