SCHEMBL20201882

SCHEMBL20201882

CCCNc1cc(C(C)C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BLM P54132 5/20 0.34
IDO1 P14902 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL22751309 0.86 CASR (0.36) CASRLMNAALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL11994358 0.85 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2BLMGAATRPA1
SCHEMBL6970183 0.78 SMN1; SMN2 (0.44) LMNAALDH1A1SMN1; SMN2IDO1TRPA1
SCHEMBL20207677 0.77 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2TRPA1MEN1
SCHEMBL25889572 0.76 BCHE (0.37) CASRBCHEACHELMNAALDH1A1
SCHEMBL22537648 0.76 LMNA (0.38) BCHEACHELMNAALDH1A1SMN1; SMN2
SCHEMBL21536701 0.76 BACE1 (0.37)
SCHEMBL20376237 0.75 IDO1 (0.35) ALDH1A1SMN1; SMN2IDO1GAATRPA1
SCHEMBL12963093 0.74 EPHX1 (0.46) CASRLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL21324923 0.72 TRPV1 (0.38) ALDH1A1IDO1HSP90AA1HSP90AB1GAA

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed