SCHEMBL19784597

SCHEMBL19784597

C(=C(/c1ccccc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1)\c1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
ALOX5 P09917 4/20 0.36
PTGES O14684 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
KAT6A Q92794 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL14018430 0.89 L3MBTL1 (0.33) ESR1MEN1MAPTMAPK1KMT2A
SCHEMBL14018378 0.85 MAPT (0.34) ESR1MEN1MAPTMAPK1KMT2A
SCHEMBL19831883 0.84 PTGES (0.38) ESR1ESR2ALOX5PTGESMEN1
SCHEMBL25891975 0.83 ESR1 (0.46) ESR1ESR2ALOX5PTGESMEN1
SCHEMBL24901303 0.81 ESR1 (0.43) ESR1ESR2ALOX5PTGESMEN1
SCHEMBL20313386 0.81 GSTP1 (0.46) ESR1ESR2ALOX5PTGESMEN1
SCHEMBL2508288 0.80 CES2 (0.40) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL2508290 0.80 CES2 (0.40) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL20313404 0.79 GSTP1 (0.44) ESR1ESR2ALOX5PTGESMEN1
SCHEMBL2499605 0.79 RAB9A (0.38) ESR1MEN1MAPTKMT2ASMN1; SMN2

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
WO-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed