SCHEMBL23967651

SCHEMBL23967651

CSc1ccc(N(I)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.36
ALDH1A3 P47895 1/20 0.35
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 1/20 0.32
EGFR P00533 2/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL23967648 0.88 MEN1 (0.39) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23967646 0.81 GCGR (0.38) MEN1LMNAMAPTHTTKMT2A
SCHEMBL27299439 0.72 PTGS2 (0.55) PTGS2PTGS1ALDH1A3MEN1LMNA
SCHEMBL17283465 0.72 PTGS2 (0.63) PTGS2PTGS1ALDH1A3MEN1KMT2A
SCHEMBL403028 0.72 PTGS2 (0.63) PTGS2PTGS1ALDH1A3MEN1KMT2A
SCHEMBL19735325 0.72 MAPT (0.39) MEN1LMNAMAPTHTTKMT2A
SCHEMBL22992268 0.72 TNKS2 (0.37) MEN1LMNAMAPTHTTKMT2A
SCHEMBL15685948 0.71 MAPT (0.41) MEN1LMNAMAPTHTTKMT2A
SCHEMBL22435770 0.71 MAPT (0.41) MEN1LMNAMAPTHTTKMT2A
SCHEMBL22435842 0.71 MAPT (0.41) MEN1LMNAMAPTHTTKMT2A

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