SCHEMBL18551215

SCHEMBL18551215

CNCc1ccc(N2CCN(C(=O)CCOCI)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.46
▸ GAA P10253 7/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ ME2 P23368 2/20 0.46
▸ ME1 P48163 2/20 0.46
▸ ME3 Q16798 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ ALOX15 P16050 5/20 0.46
▸ ALOX12 P18054 5/20 0.46
▸ GFER P55789 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46

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
SCHEMBL20075898 0.89 ALDH1A1 (0.52) MAPTGAANCF1ME2ME1
SCHEMBL30230328 0.86 MAPT (0.49) MAPTGAANCF1ME2ME1
SCHEMBL20323922 0.81 ALDH1A1 (0.51) MAPTGAAME2ME1ME3
SCHEMBL21026182 0.77 ME2 (0.49) MAPTGAAME2ME1ME3
SCHEMBL16026436 0.76 NCF1 (0.57) MAPTGAANCF1ME2ME1
SCHEMBL18591763 0.76 MAPT (0.47) MAPTGAAME2ME1ME3
SCHEMBL23664609 0.74 SMN1; SMN2 (0.45) MAPTGAAME2ME1ME3
SCHEMBL27399979 0.73 NCF1 (0.48) NCF1KDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL27980498 0.73 SMN1; SMN2 (0.68) MAPTNCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16043662 0.72 MAPT (0.53) MAPTGAANCF1ME2ME1

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-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 — — WO disclosed
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